End of Year 2 Summary Report - University of Oxforddynamics.chem.ox.ac.uk/projects/year2/End of Year...

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Bristol/Oxford Programme Grant EP/L005913 January 2016

Chemical Applications of Velocity and Spatial Imaging

M.N.R. Ashfold and A.J. Orr-Ewing (Bristol (BRI)),

M. Brouard, S.R. Mackenzie and C. Vallance (Oxford (OXF))

End of Year 2 Summary Report

External Advisory Board (EAB) Members:

Prof J. Bunch, National Physical Laboratory

Prof K.G. McKendrick, Heriot Watt University

Prof A.G. Suits, Wayne State University

EPSRC representative:

Ms Natasha Richardson

Overview

This 5 year Programme Grant (PG) started in January 2014. The first full meeting of the Executive

Committee (EC, comprising the lead investigators) with the EAB was held in Oxford on 18/3/2015.

As agreed with EPSRC and the EAB, the next full meeting between the EC and the EAB should be

held in late 2016 (towards the end of year 3),with the EC providing written Progress Reports at the

end of the intervening years (i.e. years 2 and 4).

The following end of year 2 Progress Report, partitioned into the following 6 parts:

1. Short executive summary,

2. Overview of the current situation relating to personnel and major expenditure issues,

3. Brief summaries of progress to date against the various scientific, technical and impact

milestones that were proposed to start and progress in years 1 and 2.

4. New and updated milestones for the period 1/2016-6/2017 (months 24-42).

5. Conference participation, seminar invitations, etc. by the lead investigators plus, as an

Appendix, others funded by (or associated with) the PG.

6. Advocacy and industrial impact activities.

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1. EXECUTIVE SUMMARY

PImMS1 cameras are now installed in the labs of 4 of the lead investigators.

After a few teething issues, two of these have been upgraded to the PImMS2 sensor and are

running well.

We were able to recruit excellent PDRAs to the PG. One – Preston – resigned in 9/2015 to

take a permanent scientist position at the Norwegian Institute for Energy Technology.

Another – Grubb – has secured an Assistant Professorship at Fort Lewis College, Colorado,

starting in summer 2016. The search for their successors attracted a very strong pool of

applicants; two new PDRAs will join the PG in early 2016.

Much high quality science has been performed – addressing technique development,

unimolecular gas phase molecular photophysics, bimolecular collisions and gas phase

reactivity, new developments in mass spectrometry and imaging material on surfaces. Since

the start of 2014, the team have published >40 peer reviewed articles on topics within the

remit of the PG, in most of the leading journals for work in this area (J. Chem. Phys., J. Phys.

Chem. A, J. Phys. Chem. Letts., Chem. Sci., Phys. Chem. Chem. Phys., Phys. Rev. Lett., Phys.

Rev. A, Rev. Sci. Instrum., etc. Roughly one third of these publications are authored by more

than one of the lead investigators; a similar fraction reports collaborative work with groups

outside of the PG.

The lead investigators have given 32 invited conference lectures and a further 25 research

seminars on work within the PG remit during 2014 and 2015. Each has further invitations

lined up for 2016. The PDRAs and associated PhD students have also been excellent drivers

of, and ambassadors for, the PG activities (see Appendix).

Expenditure on staff, equipment and consumables is running largely as planned, though the

purchase of some equipment items has been delayed.

The original proposal identified a number of milestones within the 4 scientific work packages

(SWPs) and 5 technical work packages (TWPs). Some have already been achieved in full,

some (as expected) remain work in progress, implementation of a few have been delayed,

while other ambitions have emerged (or been moved forward) as a result of new opportunities

enabled by the flexibility of the PG. Noteworthy examples in the latter category include the

PImMS-driven collaborations with Stapelfeldt (Aarhus), Rolles and Marchenko (DESY,

Hamburg), the theory-driven collaborations with Domcke (TU Munich) and Maeda

(Hokkaido), and the possibility of ambient pressure SMI-MS now being explored with

Fasmatech Science and Technology SA.

The complementarity of many of the PG activities with the ERC funded condensed phase

photophysics research programme in Bristol is proving every bit as rewarding as anticipated

at the time of the PG submission.

Each lead investigator has sought to make significant contributions in one or more advocacy,

leadership and/or outreach areas during the first two years of the PG (see section 6).

Dedicated website http://dynamics.chem.ox.ac.uk/ was set up by OXF PhD student Sean Gordon.

This is updated frequently to promote the outputs and achievements of the PG.

http://dynamics.chem.ox.ac.uk/

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2. PERSONNEL AND EXPENDITURE INFORMATION

Postdoctoral research assistants funded by the PG

Name Start date on

grant

End date on

grant (where

appropriate)

Comments/next destination

Dr Simon-John King

(CV)

1/2014 4/2016

Dr TJ Preston

(AJOE)

1/2014 9/2015 Scientist, Institute for Energy

Technology (IFE), Kjeller,

Norway from 10/2015

Dr Stephanie Essafi

(JNH/MNRA)

5/2014 On maternity leave (from

8/2015)

Dr Michael Burt

(MB)

6/2014

Dr Alex Gentleman

(SRM)

7/2014

Dr Balazs Hornung

(AJOE/JNH)

1/2014 12/2014 Moved to AJOE’s ERC AdG as

research interests moved towards

condensed phase problems.

Dr Michael Grubb

(MNRA/AJOE)

4/2015 3/2016 Moved to grant after completing

2 year Marie Curie International

Incoming Fellowship.

Appointed Professor of Physical

Chemistry at Fort Lewis College,

Durango, Colorado, USA from

summer 2016.

Dr Jason Lee

(CV)

6//2015

Dr Tolga Karsili

(MNRA)

7/2015 8/2016 Currently employed jointly with

Prof W. Domcke (TU Munich).

Has accepted follow-on position

with Prof Matsika (Temple)

starting 8/2016.

Dr Chris Hansen

(MNRA/AJOE)

1/2016

Dr Mitchell Quinn

(AJOE/MNRA)

3/2016

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PDRAs and PhD students not funded by, but adding value to the PG

Name End date First destination / comments

Dr Alexandra

Lauer (MB)

3/2015 Consultant, Basycon

Unternehmensberatung GmbH,

Germany

Dr Dan Murdock

(MNRA/AJOE)

Dr Craig Slater

(MB)

2/2015 Trainee patent attorney,

Carpmaels & Ransford LLP,

London

Degree Start date Graduation

date

First destination / comments

Ben Winter (MB) D.Phil. 10/2010 5/2014 Post-doc in Frankfurt, then

moved to Beiersdorf AG,

Hamburg

Greg Dunning

(AJOE)

Ph.D. 10/2011 7/2015 Software development for CHP

Consulting

Edward Halford

(MB)

D.Phil. 10/2011 12/2015 Scientist, Ministry of Defence

Stephanie Harris

(MNRA)

Ph.D. 10/2011 7/2015 Sport and Student Development

Officer at UoB Students' Union

Bethan Nichols

(MB)

D.Phil. 10/2011 8/2015 PDRA, UC Berkeley (Neumark

group)

Imogen Parry

(SRM)

D.Phil. 10/2011 4/2015 Patent Law (London)

Graham Cooper

(SRM)

D.Phil. 10/2012

Sean Gordon

(MB)

D.Phil. 10/2012

Barbara Marchetti

(MNRA)

Ph.D. 10/2012 ..1/2016 Awarded T.U. Munich

Fellowship, starting 1/2016

Rebecca Ingle

(MNRA)

Ph.D. 10/2013 Won Japan Society for the

Promotion of Science

Postgraduate Fellowship to work

in Suzuki group (Kyoto), for 3

months in summer 2015

Hugo Marroux

(AJOE)

Ph.D. 10/2013

Garreth

McCrudden (MB)

D.Phil. 10/2013

Shubhrangshu

Pandit (AJOE)

Ph.D. 10/2013 Funded by UoB Overseas

Scholarship

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Weiwei Zhou

(CV)

D.Phil. 10/2013

Kasra Amini

(MB)

D.Phil. 02/2014

Philip Coulter

(AJOE)

Ph.D. 10/2014

Ang Guo

(MB)

D.Phil. 10/2014

Andreas Iskra

(SRM)

D.Phil. 10/2014

Daisuke Koyama

(AJOE)

Ph.D. 10/2014 Fully funded by Bridgestone

Corp.

Eleanor Morris

(CV)

D.Phil. 10/2014

Victoria Walpole

(MB)

D.Phil. 10/2014

Matthew Bain

(MNRA)

Ph.D. 10/2015

Robert Burleigh

(MB)

D.Phil. 10/2015

Ethan Cunningham

(SRM)

D.Phil. 10/2015

Hansjochen

Koeckert

(CV/MB/SRM)

D.Phil. 10/2015

>15 final year undergraduate students in OXF/BRI have also contributed to projects that fall

under the umbrella of this PG.

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Other Personnel Issues

Prof Jeremy Harvey (JNH) resigned from University of Bristol to accept a Chair at the University

of Leuven in Belgium on 1/10/2014. He is now a Visiting Professor in Chemistry at UoB, and

continues to help guide the research of two computational PDRAs (Hornung and Essafi).

Prof Barry Carpenter (ex Cornell and Cardiff) is also a Visiting Professor in Chemistry at UoB,

and making ever growing theoretical contributions to the gas and condensed phase photoinduced

reactions work in Bristol.

Dr David Glowacki holds a Royal Society University Research Fellowship (since 10/2013) and a

proleptic lectureship (joint appointment in Chemistry / Computer Science) at UoB. He has particular

interests and expertise in the simulation of classical and quantum reaction dynamics and in non-

equilibrium statistical mechanics and energy transfer relevant to the PG activities.

Dr Tom Oliver (ex PhD student with MNRA, then PDRA with Prof Graham Fleming at UC

Berkeley) began a Royal Society University Research Fellowship in Bristol in 9/2015. His research

ambitions are focussed on ultrafast condensed phase photophysics, but his expertise and prior

interests are already adding real value to PG activities.

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Major Equipment Expenditure

PImMS cameras

STFC/OXF/BRI consortium agreement relating to PImMS cameras signed off by all parties in

11/2014. 4 PImMS1 cameras configured by OXF Physics, 2 shipped to Bristol in 4/2015.

Other equipment items:

The following equipment items were detailed in the original proposal for purchase in years 1 and 2:

LaserVision IR- OPO complete – installed 8/2014 and fully operational (SRM)

New spatial imaging mass spectrometer (MSI, for MB/CV)): This has been designed in silico

and is now under construction at Oxford Chemistry.

New vacuum chambers for crossed ion cluster /molecular beam experiment including pulsed

molecular beam sources (two), turbomolecular and scroll pumps (SRM, now complete,

design aided by useful discussions with Neumark group (U.C. Berkeley) and very helpful

visits by Dr Alex Gentleman to the groups of Wester (Innsbruck) and Heiz (Munich)).

6 MCP detectors (2 ordered thus far)

MALDI spotter – not yet ready to order this.

Excimer laser – not yet ordered, as the old laser it is intended to replace is still working.

Octopole and quadrupole ion guides, plus associated power supplies. The funds requested for

these items were based on quotations from Jordan. However, these items are no long supplied

as stand-alone items (and not at all by Jordan) only packaged-up by Ardara at a 3-fold higher

cost. Cost-effective alternatives are currently being sought.

Small Nd-YAG laser (minilite or similar), plus fast oscilloscope – not yet ordered.

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3. PROGRESS TO DATE AGAINST YEAR 1 AND 2 SCIENTIFIC, TECHNICAL AND

IMPACT MILESTONES LISTED IN APPLICATION.

SCIENTFIC MILESTONES

WITHIN SWP1: Mechanisms of chemical and photochemical reactions of organic molecules in

the gas-phase and in solution

S1 Image HCN from vinyl cyanide photolysis.

Dilute molecular beams of HCN were prepared and various plausible resonance enhanced

multiphoton ionisation (REMPI) schemes attempted – so far without success. We have identified that

the methylated versions of the vinyl halides and cyanides are considerably safer to work with, and

have examined the photochemistry of some of these species in the gas phase. The evidence from our

velocity map images of HBr(v=0, 1 and 2) and RRKM calculations is that 193-nm photolysis of

various methylated vinyl bromides favours production of methylated vinylidene bi-radicals (e.g.

(CH3)2C=C:), and the chemistry of these highly reactive intermediates will now be explored in

solution.

S2 Image products of CN + CD4 reaction.

Reliable (and safe) means of generating intense beams of CN radicals have been established. An

existing VMI apparatus is now being rebuilt for crossed molecular beam scattering and product

imaging. We will detect CD3 radical products of the reaction by well-established REMPI schemes.

Two geometries (90o and 180

o) of intersecting beams and use of Ar and He seed gases will allow

reactions to be studied at several collision energies. See also S9. A theoretical complement to this

experimental project is described in S9.

S3 Photodissociation of organic systems (ketones, ethers) with REMPI or VUV ionization

and VMI.

Progress in OXF has been slowed by low reagent vapour pressures (solved by implementing a new

heated nozzle source) and intermittent laser problems. Preliminary data have been obtained for

bromothiophene neutrals and ions (with Ingle, BRI) and for allyl bromide and bromocyclopropane

(with Pandit, BRI). The latter study complements REMPI and VMI investigations in BRI (in

collaboration with Prof Barry Carpenter) of both Br and allyl radical products of the UV (230-245

nm) photolysis of bromocyclopropane. Comparison of kinetic energy release (KER) distributions

indicates a concerted cyclopropane ring-opening and Br loss pathway. The gas-phase studies are

guiding interpretation of (ERC-funded) experiments in polar solvents, where bromocyclopropane

photodissociation can instead occur via an ion-pair state, offering a possible route to time-resolved

measurements of SN2 reactions of Br.

PImMS imaging measurements on a series of unsubstituted and substituted formamide molecules as

models for peptide-bond dissociation are on-going. A paper on retro-cycloaddition reactions of

unsubstituted and methyl-substituted cyclohexenes was published in J. Phys. Chem. A.

Design and implementation of the first of two VUV photoionisation sources in BRI is complete, and

tests about to start. Major problems with an existing pulsed MCP detector were only resolved by

designing and buying new triple stack MCP detector (Photek, delivered 9/2015).

Gas phase photodissociation studies: contrasting behaviours of 2-, 3- and 4-chlorophenols

(collaboration with OXF, Warwick and Saclay, paper published in J. Phys. Chem. A).

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A detailed study of symmetry effects in the photolysis of 2- and 3-substituted thiophenols is

complete. Data analysis and manuscript preparation is now in hand.

The BRI group has demonstrated that ultrafast transient absorption measurements can be made of the

photodissociation of gaseous molecules with better than 100-fs time resolution. This advance has the

potential to provide a powerful complement to the VMI studies of photofragment KER and quantum

state distributions. A paper containing illustrative results for BrCN photolysis (Grubb et al.) has been

submitted for publication.

S4 First results from F-atom reactions.

Gas phase experiments have not yet been attempted, as we chose to concentrate on the CN radical

work. Extensive tests of methods for generating intense radical beams encourage the view that F-

atom beams of sufficient density will be readily produced from dilute (few percent) F2 gas mixtures

such as are supplied for excimer lasers.

[Complementary BRI work on F-atom reactions in solution was published in Science (Dunning et al,

Science, 347, 530 (2015) and highlighted by Scientific American in its 2015 World Changing Ideas

package].

S5 Photo-dynamics of a ring-opening process.

A paper on photoinduced ring-opening in bromo- and iodothiophenes using REMPI detection of the

Br/I products published in J. Chem. Phys. (joint with Photek).

Studies of these same systems using universal ionisation detection methods now underway.

Data that might provide evidence for near UV photoinduced ring-opening in thiophenethiol (with

Warwick) has now been taken and analysis is underway.

[Complementary condensed phase studies of near UV photoinduced ring opening/closing have been

undertaken for thiophenone and furanone (published in PCCP), N-methylpyridone (published in J.

Phys. Chem. A) and -pyranone and coumarin (PCCP, published on line). Interpretation in all cases

has been guided by previous gas phase data and/or by ab initio calculations of the corresponding gas

phase photoprocess(es) – see S6 below].

S6 Electronic structure calculations for photodissociation e.g. allyl phenyl ether, DMF.

This area has seen more effort and much more progress in the period since 1/2014 than anticipated at

the time the PG application was submitted. Key to this progress was the appointment of ex-Bristol

PhD student (Karsili) to a 2-year postdoctoral position shared between BRI and the leading theory

group of Prof Domcke at T.U. Munich. This has greatly accelerated progress towards longer term

objective SWP1,A(v); Unravelling the anatomy of radiationless decay processes. As noted in S5

(above), most of the photodissociation processes studied experimentally are complemented by

excited state electronic structure calculations, but ab initio theory also allows exploration of the

topography of excited state potential energy surfaces (PESs), including the regions of conical

intersection between such PESs that are critical in understanding other radiationless decay processes

like internal conversion.

This has led to stand-alone ab initio studies of radiationless decay pathways in various sunscreen

components (published in J. Phys. Chem. A) [complementing condensed phase studies of

photoprotection mechanisms in the sunscreen derivative oxybenzone, with Stavros (Warwick) now

published in J. Phys. Chem. A and in J. Photochem. Photobiol.], in skin pigments eumelanin and

pheomelanin (independent work of Karsili, PCCP) and, more generally, to a Perspective Article

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exploring ways in which the introduction of N atoms in heterocyclic molecules enhances their

radiationless decay (PCCP, awaiting submission).

Hornung has led BRI efforts to compute microcanonical rate coefficients for 3- and 4-centre

elimination of HBr from internally excited vinyl bromide molecules. The outcomes support our

interpretation of VMI data that suggest substituted vinylidene bi-radical formation in preference to

the energetically preferred alkyne photoproducts.

S7 3D and coincidence VMI for chemical dynamics.

A paper demonstrating slice imaging of the full 3D Newton sphere has been published in Rev. Sci.

Instrum.

Coincidence work is on-going, in collaboration with Feifel (Sweden) and Eland (OXF), with

Stapelfeldt (Aarhus) and with Rolles and Marchenko (Deutsches Elektronen-Synchrotron (DESY),

Hamburg). A new algorithm for three-fold covariance imaging has been written, validated and is

now being applied to data gathered from the Eland and Stapelfeldt collaborations (see S23). The

flexibility enabled by the PG enabled two visits to DESY in 2014 and 2015. Data analysis from this

collaboration is ongoing and publications are expected; an abstract has been submitted to the

‘Ultrafast Imaging of Photochemical Dynamics’ Faraday Discussion, which will be held in August

2016.

S8 Photodissociation dynamics of organic molecules by multimass imaging.

Proving studies on the photodissociation of methyl and ethyl iodide neutrals and cations, with

universal detection, have resulted in two joint OXF/BRI papers published in PCCP. A further paper

will result from the BRI/OXF collaboration on bromocyclopropane and allyl bromide measurements

(see S3).

Preliminary multimass imaging measurements using a PImMS camera have been performed in OXF

with an existing VMI rig; such tests are about to start in BRI (recall S3 above). Triple-MCP

detectors have been installed in one apparatus in each centre. Once these are fully tested, further

detector upgrades are planned at both OXF and BRI to enable routine data collection with PImMS

cameras.

S9 Trajectory calculations for bimolecular reactions e.g. CN + CH4, F + CD3CN.

A PES has been developed for the F + CD3CN reaction by fitting high-level ab initio calculated

energies to an empirical valence bond (EVB) model (in collaboration with Glowacki and Harvey).

The resulting publication in J. Chem. Phys. describes generation of the PES and its successful

incorporation into accurate simulations of F-atom reactions in solution.

In further collaborations with Harvey, a global PES for the CN + CH4/CD4 reactions has been

obtained by fitting high-level ab initio points to an EVB function, and large numbers of trajectories

propagated to simulate the reaction dynamics at several collision energies. The results provide new

insights into the concept of a “cone of acceptance” for diatom + polyatomic molecule reactions. A

manuscript has been accepted for publication in J. Phys. Chem. A, with Preston as first author.

S10 Trajectory calculations for F + CD2Cl2, Cl + alkanes.

Global PESs for Cl + CH4 and Cl + propene reactions have been computed by fitting ab initio points

to EVB functions, and large numbers of trajectories propagated on these PESs. Two papers

describing this work appeared in J. Phys. Chem. A in 2015 (both co-authored with Harvey). The Cl +

propene calculations show that direct abstraction dynamics dominate, with only a small (< 10%)

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fraction going by addition/elimination or roaming pathways. The Cl + propene PES is now being

embedded in a liquid phase simulation to aid our understanding of how solvent effects influence the

direct versus indirect mechanisms.

A new PES is being developed for F + CH2Cl2 (in collaboration with Prof Saulo Vázquez, Santiago

de Compostela, who visited BRI in July 2015).

WITHIN SWP2: Fundamental metal-ligand interactions and gas (and solution) phase reaction

mechanisms involving metal atoms and clusters.

Some of the year 1 and 2 milestones set for this SWP can now be seen as overly ambitious given the

amount of instrument design and build activity required.

S11 Preliminary IRMPD of CO and CO2-decorated clusters.

Initial photodissociation work has focused on V(CO2)n+

and VO(CO2)+ complexes in the CO2

stretching region around 2275 cm-1

.

Conditions for parent cluster production have been optimised and clear (~50%) depletions observed.

LabView integration of new OPO with data acquisition software is now complete.

Paper reporting black-body infrared (IR) induced reactivity paper published in Angew. Chem. (2015)

Programme extended to include IRMPD studies of M(CO2)n+ (M=Co, Rh, Ir) cations using the rare

gas tagging technique. Good IRMPD spectra obtained and complementary DFT simulations of the IR

spectra are underway. These studies have revealed unexpected and interesting structures, including

insertion complexes. To understand the structures of these important reaction intermediates better,

IRMPD spectra on mixed M+(CO)n(CO2)m complexes are now being performed. These give rich

structured spectra in the stretching regions of both chromophores, the unravelling of which requires

detailed simulation.

This work has prompted new studies well-beyond those envisaged as part of the PG, and a trip to the

new free electron laser in Berlin to study CO-complexes of mixed metal clusters of Rh and Nb

demonstrating dissociative adsorption from which a high profile publication is planned.

A VMI study of Ag-RG (RG=Ar, Kr, Xe), AgO photodissociation and Ag2 dissociative ionization

has been published in J. Chem. Phys. (2015). These studies yielded much improved ground state

dissociation energies, especially for the technologically important AgO.

S12 VMI study of H2 binding to charged metal clusters.

V+(H2) and Al

+(H2) cation production demonstrated but not yet in a useable yield, suggesting that a

cryogenically cooled cluster channel will be required.

M+(H2) PESs (M = V, Al, Nb, Ta) calculated at both DFT and CCSD(T) levels, in readiness for

quasi-classical trajectory (QCT) simulations of parent vibrational predissociation following

vibrational excitation of the H2.

Preparatory work to understand the efficient production of M+(H2)n continues, concentrating on M =

V, Fe, Ag, Au and the corresponding oxides (including FeO+(H2)n and FeO2

+(H2)n). The latter offer

the prospect of studying the FeO+ + H2 reaction starting from a spectroscopically characterised pre-

reaction (entrance channel) complex.

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S13 VMI of IR driven cluster surface reactions.

Design of a VMI instrument incorporating mass-selectivity of the parent ion (by Wiley-McLaren

time-of-flight mass spectrometry) is completed, and additional vacuum pumps and chambers were

purchased and installed in late 2015. The new instrument is modular in design and incorporates both

inline (for photodissociation) and perpendicular extraction (for crossed molecular beam reactivity).

S14 H2 binding energies to metal oxide clusters.

Work to date included under S12. Additional computational studies of ground state PESs for

MO+(H2)m complexes are progressing to determine likely candidates for IR induced reactivity. Mass

selectivity (see S13) may be required in order to observe MO+ against zero-background signal (more

sensitive than looking for very small depletions of the parent ion signal). SIMION modelling is

underway to determine how this might be done in the current instrument.

S15 Testing of new crossed beam experiment with e.g. Rh+ + N2O and FeO

+ + H2.

Preparatory work for these studies is underway in readiness for the new instrument (S13) coming on

line.

S16 Multimass imaging of metal ion / cluster reactions.

A suitably complex fragmentation (of Tan clusters) has been identified that should present a good test

for the first application of PImMS to multi-photon fragmentation of metal clusters.

WITHIN SWP3: Chemical analysis of bioarrays, tissue samples, and surfaces, and the coupling

of multimass VMI and spatial map imaging (SMI) mass spectrometry (MS) to MALDI, SIMS

and DESI sources.

S17 Applications of SMI MS to analysis of metals and small molecules in tissue samples.

Ongoing work to improve the spatial and mass resolution of an SMI instrument. An SMI

incorporating a reflectron is under construction. The simulated mass and spatial resolutions of this

instrument are 6000 and 15 μm, respectively (cf. 2000 and 20 μm achieved with the previous

instrument). A high spatial resolution (100-500 nm) ion microscope SMI is also being designed in

silico. The present design builds on the Düker-Illenberger electron microscope. This has a simulated

spatial resolution of 660 nm, which will be further enhanced by an aperture currently being

developed for the simulated lens assembly. It is anticipated that this instrument will find applications

in biological ion microscopy, particularly those involving mass tags.

Imaging experiments of the cerebral artery constrictor 20-HETE are being carried out using matrix

assisted laser desorption ionization (MALDI) in combination with SMI, with the aim of establishing

the necessary conditions to identify the distributions of these compounds in rat brain samples.

S18 Simultaneous SMI-MS of multiple samples.

A SIMS instrument for analysis of bioarrays is under development, in collaboration with Scientific

Analysis Instruments Ltd. (SAI).

A Cs+ ion gun has been designed in silico and will be incorporated into the reflectron SMI (S17) in

order to allow secondary ion mass spectrometry (SIMS). Destructive ionization techniques like

SIMS will ensure that samples are quickly and extensively ionized, offering the prospect of reaching

fg/ml detection limits. This would complement the high throughput nature of microscope-mode MSI

and, with respect to the bio-array, allow biological tags to be identified even at very low

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concentrations, reducing the chance of false negatives. SMI of the SIMS process will also have the

benefit of revealing novel information on the mechanism of SIMS ion formation at the sample

surface.

A new project to develop ambient pressure SMI-MS is now being explored with help from

Fasmatech. This was not anticipated at the time the grant application was submitted, and is another

example of an opportunity afforded by the flexibility of a PG. Preliminary work characterizing the

conductance of a capillary array for sample transfer was completed in 9/2015, and Fasmatech is

currently using this information to simulate sample flow through the capillaries and the associated

free jet expansion into vacuum. The simulation results are expected by 2/2016.

WITHIN SWP4: Imaging MS to examine mechanisms of neutral molecule and ion

fragmentation.

S19 Fragmentation of dipeptides in molecular beam with multimass VMI / PImMS analysis.

Delayed, see S3.

S20 Photo-dynamics of selected peptide bond system.

Large amount of photofragmentation data for both neutral and cationic N,N-dimethylformamide (a

model peptide bond system) obtained, at several different photolysis wavelengths, which is now

being analysed. PImMS measurements on formamide, methylformamide, and dimethylformamide

planned, to aid interpretation of the existing data. Ab initio calculations on 2-hydroxypyridine and

many other N containing heterocycles for PCCP Perspective Article (see S6).

[Complementary solution phase photolysis experiments involving cyclic ‘peptide’ structures, N-

methyl pyridine and 2-hydroxypyridine completed].

S21 Electron molecule ionisation cross-section measurements.

Ionisation cell completely redesigned and rebuilt, incorporating several improvements in order to

optimise electron and ion collection efficiencies and to achieve better electron beam focusing and

stability and better temperature stability. Many technical issues encountered along the way, but the

upgraded system is now up and running. Fluid dynamics simulations to model the pressure

differentials within the instrument still required in order to make the measurements truly quantitative

but, otherwise, data collection is read to commence.

S22 Electron induced fragmentation of model DNA compounds.

Electron ionization cross sections for a number of components of DNA measured using the

predecessor of the new ionization cell described in S21. This work, and supporting detailed

theoretical modelling of these systems, published in PCCP. Over the coming year, we will be

complementing this work with electron-molecule crossed-beam experiments on the same molecules.

These will enable us to identify any fragmentation products and to study the partitioning of energy

amongst the various available degrees of freedom of the collision products. Complementary studies

have begun of electron attachment to DNA nucleotides in solution by transient IR spectroscopy,

seeking evidence for picosecond cleavage of the sugar-phosphate linkage.

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S23 Coincidence studies of e.g. Coulomb explosions.

Trans-cis isomerization investigated (with Stapelfeldt), using Coulomb explosion dynamics as the

probe. This data is still being analysed, as is interesting preliminary data on Coulomb explosion

dynamics within a He droplet.

An algorithm for extracting 3-fold covariance data from Coulomb explosion images has been

developed (see S7) and applied to ICN data acquired at BESSY, and to the explosion of a biphenyl

derivative using a fs laser at Aarhus University.

A PImMS camera successfully used to collect ion data from the Coulomb explosion and soft X-ray

irradiation of methyl iodide, other halomethanes and difluoroiodobenzene. Work is currently

underway to identify both ion-ion and ion-ion-electron covariance information.

15

TECHNICAL MILESTONES

T1 Improve sensitivity of PImMS2 sensor by incorporating a microlens array or back-

thinning.

Microlenses have now been ordered, and will shortly be fitted to a number of our PImMS1 and

PImMS2 sensors for evaluation. Back-thinning is currently on hold until the foundry that fabricates

the sensors has developed the facility to carry out this rather specialised process.

T2 Deliver PImMS2 cameras to all groups.

PImMS1 cameras configured and delivered to both Bristol groups.

PImMS2 commissioning is continuing. A camera prototype was used to record ion hits and images in

9/2015, and performed reliably during two weeks of continuous experiments at DESY in 12/2015.

T3 Demonstrate direct detection of electrons using a back-thinned PImMS2 sensor.

See T1.

T4 Proof of concept experiments on SPAD array image sensors for detection of photons.

Preliminary proof-of-concept work using a commercial SPAD-based multipixel photon counting

detector in combination with a scintillator has been undertaken and the results published in Rev. Sci.

Instrum. This prototyping work was followed by experiments using laser-dye-based scintillators in

place of the LYSO crystal scintillator used in the earlier work. Both the detection sensitivity and

time resolution of this new version of the direct ion detector show ~10-fold improvements. This

work is currently under review for publication in Int. J. Mass Spectrom.

T5 Optimization of spatial and mass resolution for SMI of large-area samples.

Mass and spatial resolutions of 2000 and 20 μm, respectively, have been demonstrated using a

velocity-corrected post-extraction differential acceleration (PEDA) microscope SMI. This was

published in Int. J. Mass Spectrom. and Rapid Commun. Mass Spectrom. A reflectron SMI (S17) is

also under construction that promises to achieve respective resolutions of 6000 and 15 μm, and a

high resolution SMI based on the Düker-Illenberger electron microscope is being designed in silico;

its simulated spatial resolution is currently 660 nm for 100 Da ions, and there remains significant

potential for improvement.

T6 Implementation of VUV ionization schemes.

VUV ionisation is already implemented in OXF, and is ready to be tested in BRI (see S3).

T7 Implementation of REMPI scheme for HCN.

This remains work in progress. UV-based schemes were unsuccessful, so schemes using one 118-nm

VUV photon will be explored (see S1).

T8 Instrument for parallel analysis of micro-arrays.

An instrument is under development in collaboration with SAI. The ionization source for these

arrays has been designed in silico. A Cs+ primary ion beam has been purchased, and will be used to

destroy the target sample, thereby increasing the instrument sensitivity (see S18).

T9 Universal detection / multimass imaging for photodissociation products.

Universal detection implemented on OXF laser VMI experiment and in the process of being

implemented on one BRI laser VMI and the OXF electron impact VMI apparatus (see S3, S21 and

16

S22). Once the design for VUV generation has been optimized on one BRI VMI instrument it will be

copied to the second BRI VMI spectrometer.

T10 Coupling of SMI with alternative ion sources.

Ion gun source for use in a SIMS experiment has been acquired and will be coupled with the ion gun

design described in T8. The possibility of ambient pressure sampling is now also being explored (see

S18), which may open the way to a wider range of ionization techniques.

T11 Universal detection / multimass imaging for bimolecular reaction products.

The PImMS camera intended for use on the BRI bimolecular reaction VMI apparatus after it has

been rebuilt for crossed beam scattering studies has been delivered. Tests of the new triple stack

MCP detector on the photodissociation VMI experiment (see S3) will be completed before deciding

whether a similar upgrade would benefit the bimolecular reaction VMI apparatus.

T12 Coincidence imaging with PImMS sensor.

This work is ongoing. First joint OXF/Aarhus (Stapelfeldt) papers have been published in Phys. Rev.

A, and further manuscripts are currently in preparation. We have now demonstrated that triple-

covariances can be detected using PImMS1 (see S23). Papers reporting joint work with the Rolles

group (Hamburg FEL) are also in preparation, and further coincidence imaging experiments with

Stapelfeldt are planned for early 2016.

T13 VMI MS for chemical fingerprinting.

Though not central to this technical milestone, OXF have succeeded in demonstrating the use of

PImMS1 and PImMS2 sensors for imaging a full 3-D Newton sphere – i.e. ‘slice imaging’ of the full

three dimensional sphere, in which multiple slices are recorded at once, without throwing away any

of the Newton sphere of ions. This work was published in Rev. Sci. Instrum. (see S7).

T14 Coincidence imaging combined with 2D MS.

We have demonstrated both 2D and 3D MS using photoionization methods, but have not yet

attempted to couple 2D MS with, say, electron-impact ionization. This remains a future challenge.

T15 Integration of PImMS sensor to crossed beam apparatus for metal ion / cluster

experiments.

Not yet attempted, see S13.

T16 Modification of ion optics in VMI instruments.

This has been completed in one of the Bristol VMI spectrometers (collaboration with Photek Ltd.,

see S5), though full exploitation of the new VMI optics was slowed by the failure of the MCP

detector. Rebuilding the ion optics in the Bristol bimolecular reactions VMI instrument will be a part

of the upgrade to crossed beam capability.

A redesign of the ion optics for the OXF laser VMI apparatus has begun, guided by the BRI/Photek

design, and the ion optics within the OXF surface imaging apparatus will also be modified within the

next year to allow imaging of MALDI plumes propagating orthogonal (rather than, as currently,

parallel to) the ion time-of-flight axis.

T17 Optimization of ion optics for charged clusters.

T18 Design and construction of crossed beam imaging spectrometer for metal ion and

cluster experiments.

17

Design and SIMION simulations of the ion optics assembly and the entire spectrometer (permitting

both in-line and orthogonal ion extraction for different experiment) completed. All necessary major

equipment items (vacuum pumps and additional chambers) procured, and construction and vacuum

testing now underway (see S13). Installation will be staggered with the first step being to introduce

parent ion mass-selectivity for photodissociation VMI studies and then crossing the cluster beam

with reactant molecular beam.

T19 Fitting of PESs for CN + CH4 and F + CH3CN.

Global EVB potentials (from fits to high level ab initio calculations) for CN + CH4, F + CH3CN, Cl

+ CH4, Cl + propene are now complete and reported in publications together with associated

trajectory calculations of the reaction dynamics. Work on EVB potentials for Cl + pentane and F +

CH2Cl2 is progressing well. The machinery developed for the construction of EVB potentials is

being written into general codes to facilitate construction of future PESs (in collaboration with

computer scientists in Glowacki’s group). Our work shows that an accurate PES can be generated

using the EVB method starting with as few as 1000 CCSD(T)-F12 ab initio energy points, even for a

system as complex as Cl + propene. This is a considerable saving over the number of ab initio

calculations required for global PESs using other fitting methods.

T20 Computational studies of PESs for FeO++H2, Rh

++N2O and Pt

++N2O reactions.

Extensive electronic structure calculations on the FeO+ + H2 system, and PES fitting now underway.

T21 Methodology for trajectory calculations on metal ion reactions.

Not yet started.

T22 Fitting of global PESs for reactions of F atoms with CD2Cl2 and for Cl atom reactions

with alkanes.

Global EVB potentials (from fits to high level ab initio calculations) for CN + CH4, F + CH3CN, Cl

+ CH4, Cl + propene have been constructed. Current effort is focussed on potentials for Cl + pentane

and F + CH2Cl2 (see T19).

T23 Electronic structure calculations for CN + alkane and Cl + alkene reactions.

Extensive Cl + alkene calculations have been completed for Cl + propene, isobutene and 2,3-

dimethylbut-2-ene, and a global PES developed for Cl + propene (see T19). A PES for Cl + 2,3-

dimethylbut-2-ene is in the early stages of development but will benefit from our proven EVB

methodology. A complete CN + CH4 PES has also been produced and reported.

T24 PESs for multistate reactions of metal atoms.

Not yet started.

18

IMPACT MILESTONES

I1 Outreach activities and magazine articles

An ‘Oxford Impact’ short film has been released and is available via the Oxford University website:

https://www.youtube.com/watch?v=z6e21GXwnBY&feature=youtu.be. The film was featured on

the home page of the university website when first released. A second film on collaboration of

academics with industry is currently in preparation by the university’s media department.

CV has spoken at Oxford High School, St. Edwards School, Abingdon School, UNIQ summer

school, various Hertford College events, and teacher training sessions in London and Birmingham

for the Princes Teaching Institute.

MNRA gives a ‘Big Ideas’ lecture on ‘Lasers in Chemistry’ for University of Bristol Open Days;

The PG supports (8 days p.a.) the time of Dr Tim Harrison (TGH), Bristol ChemLabS School

Teacher Fellow who leads the UoB ChemLabS and CHeMneT Outreach activities including hands-

on practical work, spectroscopy tours, competitions and residential ‘chemistry camps’ and visits and

lecture demonstrations. During the period 8/14-7/15, TGH and his team engaged with at least 28 450

people (including pupils from more than 670 primary and secondary schools), in a wide range of

activities in the UK (England and Wales) and overseas (Ireland, Hong Kong, Australia, Malta and

Guadeloupe). Fuller details are available at: http://www.chemlabs.bris.ac.uk/outreach/latest.html.

An article showing how and why to study photochemical reactions was published in the Sept 2015

issue of Chemistry Review, a full colour magazine for post-16 chemists that seeks to make chemistry

exciting and understandable.

PG support and funding (plus additional RSC funding) enabled the launch of the Southern

Universities Spectroscopy and Dynamics Group Summer Meeting series in 7/2014. This impact was

not anticipated at the time the original proposal was written. Early stage researchers (ESRs) are

responsible for organising these two day meetings (BRI PhD students Dunning and Harris

masterminded the inaugural meeting, OXF PDRAs King and Heazelwood convened the 7/2015

meeting), which offer excellent opportunities for ESRs to network and to give oral presentations in a

relatively informal setting to an audience consisting largely of other UK-based ESRs. The success of

this initiative can be judged by the ~2-fold increase in participant numbers between the 2014 and

2015 meetings, and by the enthusiastic involvement of ESRs from outside BRI and OXF. The 2016

meeting will be organised by Nottingham-based ESRs.

I2 Annual Fast Imaging workshops for potential users (industrial and academic) of the

new sensors.

2-day meeting organised and run successfully in 4/2014. Fifteen speakers (from UK, US and EU)

contributed to the programme, and there were 60 attendees including representatives from 8

companies. The next meeting in the series is planned for 4/2016.

I3 Patent applications for next generation PImMS.

Situation under constant review.

I4 Software development and release.

KOALA – a program for the processing and decomposition of transient spectra (released).

SLIMER – a new GUI software package developed for analysis of velocity map images.

Both are available for download at: http://www.bristoldynamics.com/resources/.

https://www.youtube.com/watch?v=z6e21GXwnBY&feature=youtu.be

http://www.chemlabs.bris.ac.uk/outreach/latest.html

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Codes that will simplify the use of EVB fitting methods to ab initio points to generate global PESs

are under construction (Hornung, in collaboration with Glowacki).

I5 Royal Society Summer Exhibition.

2015 was the International Year of Light and an obvious target date. By attending and scoping the

Summer Exhibition in 2014, however, it became apparent that the kind of display we might have

hoped to prepare would be a challenge: health and safety considerations essentially rule out any live

demonstrations involving lasers, and our hardware (cameras, etc) are small and not as visually

appealing as e.g. a dinosaur skeleton, a dog trained to ‘smell’ specific diseases, or a tilting tank to

simulate wave formation. This ambition is on hold.

20

4. NEW AND UPDATED MILESTONES FOR THE PERIOD 1/2016-6/2017.

On-going and planned near-future studies associated with the different SWPs and TWPs are included

in many of the descriptions of progress against the various milestones in section 3 and are not

repeated here. Additional objectives are presented in an order that follows the original SWPs and

TWPs.

S1 UV photophysics of 2-substituted (thio)phenols.

(extensions of S3, S7 and S8). We recently succeeded in explaining the orders of magnitude shorter

excited state lifetime of 2-chlorophenol (cf. 3- or 4-chlorophenol) in terms of the intramolecular H-

bond between the Cl and OH groups and its rôle in lowering the (relative) energy of the excited

(*) PES associated with C–Cl bond extension. Similar comparative studies are already underway

for a range of 2- vs 3-substituted thiophenols, after which we plan in-depth studies (experiment and

electronic structure theory) designed to compare and contrast the UV photophysics of 2-

methoxythiophenol and 2-methylthiosalicylate, in both of which cases we anticipate interesting

competition between excited state H atom transfer and S–H bond fission.

S2 UV photophysics of gas phase metal complexes.

(extensions of S3, S7 and S8, links to SWP2 activities, and to T6 and T9). Compared to most of the

small molecules favoured for study by molecular photophysicists, transition metal complexes are

unusual in that their photochemistry is more commonly studied in solution rather than in the gas

phase. We propose first detailed studies of the photodissociation dynamics of complexes like

Fe(C5H5)(CO)2I, in the gas phase. Preliminary electronic structure calculations reveal numerous

excited states following excitation at near UV photon energies – including ligandmetal (*n)

charge transfer states, the population of which should lead to C–I bond fission. We propose to study

several such systems, experimentally (in the gas and solution phase) and computationally, with a

view to exploring the importance and dynamics of excited state bond fission processes, and their

sensitivity to changes in e.g. the choice of metal, of ligand and of excitation wavelength.

S3 Dissociative electron attachment (DEA) to molecular anions.

(links to S6 and S20). Electron-driven dissociation of isolated gas phase molecules is well

established, but only recently has it been possible to image the fragment anions arising from such

dissociations induced by electrons with incident kinetic energies in the range 1-10 eV, and thereby

gain insights into the fragmentation dynamics. Krishnakumar and colleagues at the Tata Institute in

Mumbai are international leaders in this field. In most cases studied thus far, the product energy

disposal shows obvious parallels with that observed for the neutral fragments following *(n/)

photoexcitation of the corresponding neutral molecule. Our current ambitions in this area are: (i) an

introductory visit by AJOE to the Tata Institute in 1/2016, (ii) a month long research visit to the Tata

Institute by Bristol student Matt Bain in 6/2016, and (iii) attempting electronic structure calculations

for the ground and first few excited states of various prototypical anions.

S4 Ab initio studies of radiationless decay processes in small polyatomic molecules.

(linking particularly to S6). Here we will seek to combine our increased recent involvement in

electronic structure calculations (via Karsili and Domcke) and in locating minimum energy conical

intersections (using spin flip time-dependent DFT methods, via Ingle, with Maeda (Hokkaido)), with

21

local expertise in ‘on-the-fly’ dynamics (with Glowacki and Tew), to investigate radiationless decay

pathways like ring-opening in heterocyclic molecules.

S′5 Ionization and dissociation dynamics of astrochemically relevant molecules following

UV photon absorption or collisions with electrons.

(links to S8, S21 and S23). Some two hundred molecules have now been detected in the interstellar

medium. Many of these are unstable in terrestrial environments, but most are sufficiently stable to be

studied in the laboratory. Instruments currently available within the PG groups allow access to

photon energies 10.5 eV, and electron energies 100 eV, and the recording of product branching

ratios, kinetic energy and angular distributions. In the case of electron collisions, both total and

partial ionization cross sections can be measured, and backed up with theoretical modelling. This

program will constitute the start of a new collaboration between CV and the groups of Wiesenfeldt

and Gans (Orsay).

T1 Spatial-map imaging of ambient pressure samples

Microscope-mode SMI allows ion images to be generated up to 20 faster than with the microprobe

method. Due to its gas-phase success, we decided to explore how well spatial information could be

conserved for ambient pressure samples, where the high-throughput nature of microscope-mode SMI

could benefit the medical and analytical communities. In collaboration with Fasmatech Science and

Technology SA, we have developed a capillary array model to transfer ions from condensed-phase

samples into vacuum. In this scenario, the spatial resolution of the sample is defined by the spacing

of the capillaries comprising the array, and so preliminary work was undertaken during 5/2015-

9/2015 to characterize the conductance of a 33 capillary array (ID = 100 μm). Fasmatech is now

using this information to simulate the sample flow rate through the capillaries (S18), as well as to

assess the size of the free jet expansion into vacuum, which will dictate the minimum obtainable

spatial resolution. Once these simulations are completed (2/2016), we intend to construct a prototype

capillary array to be coupled with a microscope-mode SMI.

I1 Fast Imaging workshop for potential users (industrial and academic) of the new sensors.

A 2-day meeting will be held in Oxford in 4/2016, with the call for abstracts released in 1/2016.

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5. CONFERENCES, SEMINAR INVITATIONS, etc

MNRA

Invited lectures: Stereodynamics 2014, St. Petersburg (8/14); European Congress on Molecular

Spectroscopy 2014, Düsseldorf (8/14); Advances in Structure and Dynamics, Bangalore (1/15);

Photodissociation in Astrochemistry, Leiden (2/15); APS Meeting, San Antonio, Texas (3/15); XXVI

International Symposium on Molecular Beams, Segovia, Spain (6/15); Molecules and Light 2015 III,

Autumn Mtg. of Polish Photochemistry Group, Zakapone, Poland (9/15), iCOMET2015, Chengdu,

China (10/15).

Seminars: Univ. Alberta, Edmonton, Canada (10/14), Univ. Calgary, Canada (10/14), UCL (12/14),

Durham (1/15), Oxford (1/15), Birmingham (5/15).

Forthcoming: 63rd Pacific Conf. on Spectroscopy and Dynamics, Asilomar, CA, (1/16); Ruhr-

Universität Bochum (2/16); Dept. Chemistry, Heriot-Watt University (3/16); Advanced Particle

Imaging Techniques: 1986-2016 and beyond, Telluride, Colorado, USA (8/16); Stereodynamics,

Taipei, Taiwan (11/16); 2017 Dynamics of Molecular Collisions Meeting, Tahoe City, USA (7/17).

MB

Invited lectures: RSC Spectroscopy and Dynamics Group Meeting, Oxford (1/14); SASP, Obergurgl

(2/14); Gordon Research Conf. on Photoionization and Photodetachment, Galveston, USA (3/14);

Japanese Mass Spec. Soc., Osaka (5/14); MOLEC2014, Gothenburg, Sweden (8/14); Photodynamics,

Mexico (10/14).

Seminars: Dept. of Physics and Astronomy, Aarhus University, Denmark (4/14); Graduate School of

Engineering, Osaka University, Japan (5/14).

Forthcoming: Seminar at DESY, Hamburg (06/16); Invited conference presentations at Telluride,

Colorado, USA (08/16); Stereodynamics, Taiwan (11/16).

JNH

Invited lectures: SFB 749 Symposium, Venice (3/14); VIIth

International School on Organometallic

Chemistry, Barcelona (6/14); Femex symposium, Oslo (6/14); International Conference on Theory

and Applications of Catalysis, London, (7/14); Gordon Research Conf. on Metals in Medicine (1/15).

Seminars: Universität Muenster (1/14), Universität Göttingen (5/14).

SRM

Invited lectures: Bunsen Discussion Meeting on Gas Phase Models of Catalysis, Ulm, Germany

(4/14); 2014 International Materials Congress in Cancun, Mexico (8/14); 2015 Gaseous Ions GRC,

Texas (2/15); Gesellschaft Deutscher Chemiker, Kaiserslautern, Germany (6/15); Free electron user

meeting, Imperial College London, (6/15); Freiburg Institute of Advanced Studies (8/15).

Seminars: Arizona (10/14), Leicester (10/14), Newcastle (5/15), Karlsruhe Institute of Technology

(8/15).

Forthcoming: CECAM Workshop, Pau, France (7/16); Inter. Mass Spectrom. Conf. Toronto (8/16).

AJOE

Invited lectures: Discussion Mtg. on Spectroscopy and Dynamics of Molecules and Clusters, Puri,

Orissa, India (2/14); Pacific Conf. on Spectroscopy and Dynamics, Asilomar, California (2/15);

Division of Chemical Physics of the American Physical Society, National Meeting, San Antonio

(3/15); XVIIth Inter. Conf. on Time-Resolved Vibrational Spectroscopy, Madison, Wisconsin, (6/15).

Seminars: NISER, Bhubaneshwar, India (2/14); Ruhr-Universität Bochum (11/14); U.C. Berkeley

(2/15); Univ. Aberdeen (2/15); Univ. Leicester (2/15); U.C. Irvine (3/15); Univ. Birmingham (5/15);

Univ. Warwick (10/15); Univ. Cambridge (11/15); Tata Institute for Fundamental Research, Mumbai

(1/16).

Forthcoming: 13th

Trombay Symp. on Radiation and Photochemistry / 6th

Asia-Pacific Symposium on

Radiation Chemistry, Mumbai (1/16); Workshop on Radiation and Photochemistry (PUWORP-

23

2016), Pune, India, (1/16); American Physical Society National Mtg., Baltimore (3/16); Molecular

Interactions and Dynamics Gordon Research Conf., Easton, Mass. USA (7/16); Advanced Particle

Imaging Techniques: 1986-2016 and beyond, Telluride, Colorado, USA (8/16); Faraday Disc. on

Ultrafast Imaging of Photochemical Dynamics, Edinburgh (9/16); Stereodynamics, Taipei (11/16).

CV

Invited lectures: 6th

Oxford Photonics Day, Oxford (10/14); RSC Spectroscopy and Dynamics Group

Meeting, Nottingham (1/15); Our Astrochemical History COST Meeting, Prague (5/15); DMC2015,

Asilomar, California (7/15); iCOMET2015, Chengdu, China (10/15).

Seminars: Univ. Cork (3/14); École Polytechnique Fédérale de Lausanne (EPFL); (3/14) UCL

(5/14); Heriot Watt (3/15); York (5/15); Bodleian Library, Oxford, ‘What is research?’ (11/15).

Forthcoming: Kiel Institute of Physical Chemistry (3/16); JCF-Frühjahrssymposium Kiel (3/16);

Gas Kinetics Meeting, York, (7/16); Advanced Particle Imaging Techniques, Telluride (8/16); JCP

Future of Chemical Physics Conference, Oxford (8/16); MOLEC2016, Toledo (9/16).

Details of conference participation, research visits, etc, made by PDRAs employed on the PG and by

other PDRAs and PhD students working in PG-related areas are listed in the Appendix.

Active involvement with international experts:

MNRA: collaborations with: Stavros (Warwick) –2 joint publications in 2014, 3 in 2015), Worth

(Birmingham) and Stolow (Ottawa) – one joint publication in 2015, another in press; Suzuki (Kyoto)

– joint projects involving exchange visits by Bristol PhD student Rebecca Ingle (summer 2014 and

summer 2015) and Kyoto PhD student Motoki Sato (1-2/2015) Domcke – one joint paper in 2014,

another submitted.

MB: collaborations with Stapelfeldt (Aarhus); Alexander (MD, USA); Aoiz (Complutense, Madrid,

Spain); Stolte (Vrije University, Amsterdam); van der Meerakker (Nijmegen); Eland (Oxford); Feifel

(Gothenburg); Rolles and Boll (Hamburg, FEL, Germany); Marchenko (UPMC, Paris). A perspective

article by Brouard, Aoiz, and Stolte detailing the imaging of molecular collision stereochemistry

recently made the cover of Phys. Chem. Chem. Phys. The PImMS1 camera has been used at DESY

and BESSY, as well as in Aarhus. Much of the acquired data are still being analysed. Collaborative

visits have also taken place to Madrid and Nijmegen. Further PImMS related collaborations with

Oxford Physics (Nickerson and John), RAL (Turchetta) and Brookhaven National Laboratory

(Nomerotski and White) in collaboration with CV.

SRM: collaborations with Beyer (Kiel/Innsbruck) – joint publication in Angew. Chem. in 2015;

Fielicke (Berlin); Meijer (Berlin/Nijmegen); new collaborations with Niedner-Schatteburg

(Kaiserslautern) and Kappes (Karlsruhe Institute of Technology) in 2015 with mutual visits plus

others in areas outside the PG. Joint publication in preparation with Duncan (Georgia). Lai-Sheng

Wang (Brown Univ., a leader in the field of cluster photoelectron imaging spectroscopy) will visit

Oxford in 2/2016 and stimulate a Symposium of UK metal-cluster research groups.

AJOE: collaborations with Parker and van der Avoird (Nijmegen) – 3 joint publications in 2014/5;

Dagdigian (Johns Hopkins University) – 3 joint publications in 2014/5; Loreau (Université Libre de

Bruxelles) – 1 joint publication in 2015; Temps (Kiel) – 1 joint publication in 2015; and Vázquez

(Santiago de Compostella) – 1 joint publication in 2014, with further work in progress.

24

CV: collaborations with Nomerotski and White (Brookhaven National Labs); Turchetta and Pooley

(RAL/ISIS) Sean Bohun (Ontario); past collaborations with Parker (Nijmegen), Kitsopoulos and

Rakitzis (FORTH, Crete); nascent collaborations with Hockett (NRC, Ottawa) and Gans (Orsay).

Prof H. Lewandowski (University of Colorado and JILA Fellow) visited both Bristol (11/15) and

Oxford (12/15).

Other indicators of Esteem

MNRA was selected to receive the 2015 Herbert P. Broida Prize of the American Physical Society

and the 2014 Liversidge Award of the Royal Society of Chemistry (RSC). He is the first Briton to

receive the Broida Prize in its >25-year history. The XXVI International Symposium on Molecular

Beams in Segovia (7/2015) was also dedicated to MNRA and Prof Pierogiorgio Casavecchia

(Perugia) for their contributions to, and impact on, molecular beams science.

AJOE was selected to receive the 2014 RSC Chemical Dynamics award ‘for seminal contributions to

the study of chemical reaction dynamics in the gas and liquid phases’. As noted under S4 above,

related studies of F-atom reactions in solution by the AJOE group (Science, 2015) was highlighted by

Scientific American in its 2015 World Changing Ideas.

Most of the PG-funded PDRAs have given one or more invited talks, and several of the PhD students

associated with the PG have won prizes for their talk and/or poster contributions to national and

international conferences.

OXF D.Phil. student Craig Slater’s thesis was selected to receive a Springer Outstanding PhD

Student Thesis Award. His thesis, entitled ‘Studies of Photoinduced Molecular Dynamics Using a

Fast Imaging Sensor’ (ISBN 978-3-319-24517-1) has recently been published by Springer.

25

6. ADVOCACY AND INDUSTRIAL IMPACT ACTIVITIES

MNRA

Chair of RSC Science, Education and Industry Board (2013-7). Oversaw launch of RSC Researcher

Mobility Grants (2014) and RSC sponsored SME Placement Grants for undergraduate students

(2014); contribute to drafting and responsible for eventual sign-off of RSC reviews (e.g. Funding of

UK University Chemistry and Physics Departments), policy documents (e.g. on Climate Change) and

representations to e.g. autumn 2015 Comprehensive Spending Review and the House of Lords

Science and Technology Select Committee’s enquiry into the relationship between EU membership

and the effectiveness of science, research and innovation in the UK.

Member, RSC Council (2013- ).

Member of panel reviewing Governance of RSC (2016).

Presided over first ever Faraday Discussion in India (Bangalore 1/15), spent time promoting RSC and

UK science to RSC India staff and to UK Deputy High Commissioner in India (Ian Felton).

Royal Society: Assessor of Newton Fellowship applications, of funding requests to the Paul

Instrument Fund and of candidates for the various Physical Sciences Awards.

Member, REF 2014 Chemistry Panel.

Participant, EPSRC PG Holders Workshop (2/15).

Member, EPSRC Manufacturing with Light Phase 2 Interview Panel (8/15).

Chair, External Review Panel, School of Chemistry, University of Nottingham (9/15).

Member, External Review Board for Chemistry at York (11/15).

Member, Strategic Advisory Board, MPI für Biophysikalishe Chemie, Gottingen (12/15).

Member, External Review Board for Chemistry at Sheffield (1/16).

Member, Scientific Advisory Panel for Chemistry at Cambridge (5/16).

External Assessor, BSc Materials Science degree programme within Dept. of Physics, University of

Malaya (4/15).

MB

Head of Department of Chemistry at University of Oxford (from 9/15): various pieces of Physical

Science advocacy, including presenting to the Minister of State for Universities and Science (Jo

Johnson) and the Chinese Vice-Premier Madame Liu on the research undertaken in Oxford

Chemistry.

Head of Physical and Theoretical Chemistry at Oxford (until 9/15); Chair of the Oxford Chemistry

committee on Equality and Diversity: Departmental ‘Athena SWAN Champion’ (until 09/15);

Member of the University Athena SWAN Advisory Group; Coordinated successful Departmental

Athena SWAN Silver Award application (4/15).

SRM

Head of Physical and Theoretical Chemistry at University of Oxford (from 9/15); Chair of

Departmental Equality and Diversity Committee and Athena Swan Lead.

Member, RSC Faraday Division Council (until 10/14)

Director of Graduate Studies, Physical and Theoretical Chemistry, Oxford (2011-15).

External examiner, Department of Chemistry, University of Cambridge (2016-18).

Governor and Chair, Governors Education Committee, Magdalen College School, Oxford.

26

AJOE

Head of Physical and Theoretical Chemistry at University of Bristol (until 8/14)

Member of the Physical Sciences Panel for the 2014 Research Assessment Exercise for the University

Grants Committee of Hong Kong.

Member of the RSC Faraday Division Award Selection Committee (2014-6).

Member of the Royal Society Dorothy Hodgkin Fellowships Selection Committee (1/16-12/18).

Member of the STFC Physical Sciences and Engineering Advisory Panel (9/12-8/16).

Member of the Lasers for Science Facility Access Panel for the STFC-operated LSF at the Rutherford

Appleton Laboratory (2012-2015).

Coordinator of the School of Chemistry renewal of Athena SWAN Bronze Award (4/15), and Chair of

the School of Chemistry’s Equality Working Group.

Member of the University of Bristol Senate (2015-2018).

External Examiner, Department of Chemistry, University of Oxford (2013-15).

Vice-Chair (2016) and Chair (2018) of the Gordon Research Conference on Vibrational Spectroscopy.

Member, International Committee for the iCOMET conference series (2015- ).

CV

Member, RSC Faraday Division Council (from 7/14).

Secretary of RSC Spectroscopy and Dynamics Interest Group (until 1/14).

Member of organising committee for one-day meetings in Oxford on best practice in undergraduate

chemistry practical courses (3/15) and chemistry outreach (4/15).

Chair of the Oxford Chemistry Practical Course Committee overseeing the design and build of the

new undergraduate practical laboratories and the design of the new undergraduate practical course.

Contributor to many activities run by the Princes Teaching Institute aimed at better equipping the next

generation of chemistry teachers.

External Examiner, Department of Chemistry, University of Lancaster (2015-18).

Member, International Committee for the iCOMET conference series (2015- ).

ALL

Reviewing proposals submitted to a range of UK, EU and international funding bodies, and

manuscripts submitted to numerous scientific journals.

Industrial Impact:

MB and CV:

Collaborations with Scientific Analysis Instruments, Ltd., ongoing, with regular meetings and

exchange of expertise, particularly concerning ion optics and ion sources. We visited SAI in 3/15 and

met with Steve Thompson (Technical Manager) in 6/15 to continue ongoing work with SAI on the

development of a small commercial SIMS MS instrument for analysis of bioarrays.

New collaboration with EAB Member Prof. Bunch at the National Physical Laboratory. This has

included visits and discussions in Oxford and at NPL, and visits to NPL by OXF students Eleanor

Morris and Ang Guo. Possibility of future CASE studentship with NPL is being explored.

New collaboration with Fasmatech on ambient pressure imaging mass spectrometry.

27

PImMS1 camera has recently been sold to collaborators in Brookhaven National Laboratory. See

above for further PImMS1 collaborations.

Working with Photonis to build a prototype StreakMS detector, which is awaiting testing and

characterisation. The patent for this detector has been licensed to Waters Ltd..

Several companies (including Photek, Waters and Ametek) have shown interest in our recently

developed fast phosphor screens based on laser dyes.

BRI:

KTP with Photek centred on developing new and improved electrode assemblies for velocity map

imaging applications was a Finalist in the Innovate UK Best of the Best 2014 competition. One fruit

of that partnership is a new arm to Photek Ltd: http://www.velocitas-vmi.com/

The remarkable cultural impact of dS (Danceroom Spectroscopy) http://danceroom-spec.com/ – the

brainchild of Glowacki when a PDRA employed on the New Horizons PG – continues to grow.

Glowacki has been retained at UoB courtesy of a Royal Society University Research Fellowship and a

proleptic lectureship (joint between Chemistry and Computer Science). Further Arts Council funding

has been secured and a spin-out company Interactive Scientific Ltd. launched

(http://interactivescientific.com/).

http://danceroom-spec.com/

28

APPENDIX

Name Date Meeting / Activity Nature

PG funded PDRAs

Simon John King Jan 2014 RSC Spectroscopy and Dynamics Group

Meeting 2014, Oxford

Session Chair

Mar 2014 GRC: Photoionization and

Photodetachment, Galveston, TX, USA

Poster

Apr 2014 High Speed Imaging Workshop, Oxford Poster

Jul 2014 Southern Universities Spectroscopy and

Dynamics Group Meeting, Bristol.

Session Chair

Mar 2015 Bristol Laser Group Seminar, Bristol Invited lecture.


Dynamics Group Meeting, Oxford.

Co-organiser

Jan 2016 NSCCS MolPro workshop, Bristol Participant

TJ Preston Apr 2014 High Speed Imaging Workshop, Oxford Poster

Jul 2014 GRC Atomic and Molecular

Interactions, Easton, USA

Poster

Jul 2014 Dept. of Chemistry, University of Maine Invited lecture.

Oct 2014 Photodynamics Conference, Oaxaca,

Mexico

Poster

May 2015 Dept. of Chemistry, Univ. Oxford Invited lecture.

Michael Burt

Aug 2014 20th European Conference on the

Dynamics of Molecular Systems,

Gothenburg, Sweden.

Poster (x2)

Sep 2014 Deutsches Elektronen-Synchrotron,

Hamburg, Germany

Academic

collaboration

Sep/Oct

2014

Aarhus University, Aarhus, Denmark Academic

collaboration

Nov/Dec

2014

Deutsches Elektronen-Synchrotro,

Hamburg, Germany

Academic

collaboration

Jan 2015 RSC Spectroscopy and Dynamics

Interest Group Meeting, Nottingham

Talk + Poster

Feb 2015 GRC on Gaseous Ions: Structures,

Energetics & Reactions, Galveston, TX,

USA

Poster

Mar 2015 Scientific Analysis Instruments Ltd.,

Manchester

Fact-finding

Mar 2015 Bristol Laser Chemistry, Spectroscopy

& Dynamics Group Seminar Series,

Bristol

Invited lecture.

Jun 2015 63rd

ASMS Conf. on Mass Spectrometry

and Allied Topics, St. Louis, MO, USA

Poster (x2)


Dynamics Group Mtg., Oxford

Co-organiser

Dec 2015 Deutsches Elektronen-Synchrotron,

Hamburg, Germany

Academic

collaboration

29

Alex Gentleman Jun/Jul

2015

T.U. Munich, Germany. Research Visit to

the Heiz Group.

Jun 2015 Univ. Innsbruck, Austria. Research Visit to

the Beyer and

Wester Groups.

Mar 2015 PImMS General Meeting, Oxford General Meeting

involving use of the

PImMS camera.

Mar 2015 Bristol & Oxford Chemical Dynamics

Group Meeting, Oxford.

Talk prepared,

presented by SRM,

+ 2 posters

Mar 2015 Bristol Reaction Dynamics Meeting,

Bristol.

Invited lecture.


Interest Group Meeting, Nottingham.

Poster

Balazs Hornung Jan 2015 RSC Spectroscopy and Dynamics

Interest Group Meeting, Nottingham.

Talk

Oct 2015 iCOMET, Chengdu, PRC Hot topic talk


Interest Group Meeting, Warwick

Poster

Michael Grubb Jul 2014 Southern Universities Spectroscopy and

Dynamics Group Meeting, Bristol.

Opening lecture

Oct 2014 University of Munich Invited lecture

May 2015 University of Oxford Invited lecture

Jul 2015 DMC Conference, Asilomar, CA Hot topic talk

Aug 2015 Int. Mtg. on Atomic and Molecular

Physics and Chemistry, Birmingham

Invited lecture

Oct 2015 Dept of Chemistry, Fort Lewis College,

Durango, USA Invited lecture (2)


Interest Group Meeting, Warwick.

Session chair +

poster

Jason Lee Mar 2014 ISIS neutron spallation source Experimental visit

Apr 2014 3rd

Workshop in High-speed Imaging

Sensors, Oxford

Poster presentation

May 2014 ISIS neutron spallation source, RAL Research visit

Jul 2014 Annual Northern Universities Meeting

on Chemical Physics XXIV

Poster presentation

Oct 2014 Photonics Day, Oxford Participant

Oct 2014 Aspect, Germany Meeting + present-

ations for PImMS

development

Nov 2014 National Instruments Annual

Conference

Participant


Dynamics Group Meeting 2015, Oxford.

Co-organiser

Sep 2015 ISIS neutron spallation source, RAL Research visit

Sep 2015 Cobham RAD solutions, Harwell Research visit

Nov 2015 Dept. of Chemistry, Univ. Bristol Academic

collaboration

(PImMS setup)

30

Nov 2015 DESY, Hamburg Academic

collaboration

Multiple Rutherford Appleton Laboratory Fact-finding visits

Tolga Karsili May 2014 Bunsentagung 2014, DESY, Hamburg Poster

Jul 2014 GRS and GRC Atomic and Molecular


Poster + session

chair

Mar 2015 Computational Molecular Science

Workshop, Warwick

Poster

May 2015 Bunsentagung 2015, Mulheim-Ruhr

Universitat, Germany

Poster

Jun 2015 Centre for Free Electron Laser at DESY,

Hamburg

Invited lecture

Jul 2015 GRC Photochemistry, Easton, USA Poster + chaired

plenary session of

student symposium

Jul 2015 Summit mtg. on non-linear spectroscopy

of complex systems, Munich

Session chair

Aug 2015 Internat. Mtg. on Atomic and Molecular

Physics and Chemistry, Birmingham

Invited lecture

Sep 2015 Molecules and Light 2015 Conference,

Zakopane, Poland

Invited lecture

Other PG-related

PDRAs

Alexandra Lauer Jan 2014 RSC Spectroscopy and Dynamics

Interest Group Annual Meeting, Oxford

Poster

Jan 2014 BESSY, Berlin, Germany Working visit

Apr 2014 3rd


Sensors, Oxford

Co-organiser

Jul 2014 BESSY, Berlin, Germany Working visit

Aug 2014

20th European Conference on the

Dynamics of Molecular Systems,

Gothenburg, Sweden

Poster

Sep 2014 Deutsches Elektronen-Synchrotron,

Hamburg, Germany)

Academic

collaboration

Oct 2014 Aarhus University, Denmark Academic

collaboration

Dec 2014 Deutsches Elektronen-Synchrotron,

Hamburg, Germany

Academic

collaboration



Poster

Dan Murdock Jan 2014 RSC Spectroscopy and Dynamics

Interest Group Meeting, Oxford

Poster

Jul 2014 GRC on Vibrational Spectroscopy, Univ

New England, USA

Poster

Aug 2014 Dept of Chemistry, Yale University Invited lecture



Poster

Apr 2015 STFC Laser Support Facility meeting,

RAL

Invited talk

31

Jun 2015 XVIIth Internat. Conf. on Time

Resolved Vibrational Spectroscopy,

Madison, Wisconsin, USA

Poster

Craig Slater Jan 2014 BESSY, Berlin, Germany Academic

collaboration

Jul 2014 BESSY, Berlin, Germany Academic

collaboration

PhD students

Benjamin Winter Mar 2014 German Society for Mass Spectrometry

(DGMS) annual meeting

Poster

Apr 2014 3rd


Sensors, Oxford.

Poster

Jun 2014 Dept of Chemistry, Frankfurt University Invited seminar

Greg Dunning Jan 2014 RSC Spectroscopy and Dynamics


Talk + poster

Jul 2014 GRS and GRC Atomic and Molecular


Talk + poster


Dynamics Group Mtg., Bristol.

Co-organiser + talk

Oct 2014 WE-Heraeus Seminar on Exploring

solvation science, Ruhr University

Bochum

Talk + poster

Ed Halford Apr 2014 3rd

Workshop on high-speed imaging

sensors, Oxford

Poster

May 2014 Mass Spectrometry Society of Japan

annual conference, Osaka

Participant

May 2014 Mass Spectrometry Symposium, Osaka

University

Participant

Jun 2014 62nd American Society of Mass

Spectrometry Conf., Baltimore, USA

Poster

Sep 2014 Visit to National Physics Laboratory,

Teddington

Academic visit

Mar 2015 Visit to Scientific Analysis Instruments

Ltd, Manchester

Academic visit

Stephanie Harris Jan 2014 RSC Spectroscopy and Dynamics

Interest Group Meeting (Oxford)

Talk



Co-organiser + talk

Bethan Nichols Jan 2014 RSC Spectroscopy and Dynamics


Poster

Feb 2014 Symposium on Atomic, Cluster and

Surface Physics, Obergurgl

Poster (poster prize

winner)

Apr 2014 3rd


Sensors, (Oxford).

Poster

Aug 2014 XV Stereodynamics St. Petersburg,

Russia

Hot-topic talk

32

Graham Cooper Jan 2014 RSC Spectroscopy and Dynamics


Poster



Talk

Mar 2015 Bristol & Oxford Chemical Dynamics

Group Meeting, Oxford

Posters (x2)

Sean Gordon Jan 2014 RSC Spectroscopy and Dynamics


Poster

Mar 2014 Radboud University, Nijmegen Collaborative lab.

visit + talk

Apr 2014 3rd


Sensors, Oxford.

Poster



Talk

Aug 2014 XV Stereodynamics St. Petersburg,

Russia.

Poster (x2),

including poster

prize

Aug 2014 20th European Conference on the

Dynamics of Molecular Systems

(Gothenburg, Sweden)

Poster (x2)

Jun 2015 26th International Conference on

Molecular Beams (Segovia, Spain)

[ISMB2015]

Poster



attended

Barbara Marchetti Jul 2014 24th Annual Northern Universities

Meeting on Chemical Physics

talk


Dynamics Group Mtg., Bristol

Talk

Jul 2014 GRC Atomic and Molecular

Interactions, USA

Talk + poster

Dec 2014 T.U. Munich Invited Talk

May 2015 Bunsentagung 2015, Bochum Talk + poster

May 2015 Dept of Chemistry, Univ. Regensburg Invited Talk

Jul 2015 GRC Photochemistry, Easton, USA Poster

Rebecca Ingle Jan 2014 RSC Spectroscopy and Dynamics

Interest Group Annual Meeting, Oxford

Poster

Feb 2014 ULTRA Laser Facility at RAL One week working

visit

Jun-Sep

2014

Working in Suzuki group, University of

Kyoto, funded via Bristol-Kyoto

Strategic Alliance

Working visit

Sep 2014 UK Theoretical Chemistry Summer

School, Oxford

Poster

Oct 2014 South-west Computational Chemistry

Conference, Bath

Talk

Nov 2014 ULTRA Laser Facility at RAL 1 wk. working visit

Dec 2014 NSCCS Users meeting, Imperial Poster

Jan 2015 RSC Spectroscopy and Dynamics Talk (prize for best

33

Interest Group Meeting, Nottingham student presentn.)

Feb 2015 NSCCS Users meeting, Imperial Poster

Feb 2015 Vallance lab, Univ. Oxford Working visit

Apr 2015 NSCCS Ionisation Masterclass, Imperial Poster

May 2015 Stavros lab, Univ. Warwick Working visit

Jun-Sep

2015

Suzuki group, University of Kyoto,

funded via JSPS fellowship

Working visit

Jul 2015 Dept. of Chemistry, Univ.Kyoto, Japan Talk

Aug 2015 Dept. of Chemistry, Hokkaido Univ.,

Japan

Talk

Oct 2015 iCOMET, Chengdu, PRC Hot topic talk

(prize for best

student present.)



Talk

Hugo Marroux Jul 2014 Southern Universities Spectroscopy and


Talk

Aug 2014 Zanni group, Univ. Madison Wisconsin Working visit



Talk

Jun 2015 XVIIth Internat. Conf. on Time

Resolved Vibrational Spectroscopy,

Madison, Wisconsin, USA

Poster



Talk

Garreth

McCrudden

Mar 2014 Universidad Complutense de Madrid Working visit

Aug 2014 XV Stereodynamics, St Petersburg,

Russia

Poster

Jan 2015 Universidad Complutense de Madrid Working visit

Apr 2014 3rd


Sensors, Oxford.

participant



participant

Oct 2015 iCOMET (Chengdu, PRC) Poster, won best

poster prize

Shubhrangshu

Pandit



Talk



Talk + poster

Jan 2015 62nd

Pacific Conference on Spectroscopy

and Dynamics, Asilomar, USA

Poster



Talk

Oct and

Dec 2015

Working visits to Vallance group, OXF Collaborative

experiments.

Weiwei Zhou Jan 2014 RSC Spectroscopy and Dynamics


Poster

Jan 2015 RSC Spectroscopy and Dynamics Poster

34


Jul 2015 Molecular Physics Workshop, Caen,

Université de Caen Basse-Normandie

Talk



Poster

Kasra Amini Apr 2014 3rd


Sensors, Oxford.

Poster



Poster

Aug 2014 MOLEC 2014, Gotenburg, Sweden Poster

Sep 2014 DESY, Hamburg; collaboration with

Rolles group

Research trip

Oct 2014 Univ. Aarhus; collaboration with

Stapelfeldt group

Research trip

Dec 2015 DESY, Hamburg; collaboration with

Rolles group (first FLASH2 beam time)

Research trip

Jul 2015 ISMB 2015, Segovia, Spain Poster



Talk

Nov 2015 DESY, Hamburg; collaboration with

Rolles group (second FLASH2 beam

time)

Research trip

Dec 2015 Univ. Aarhus; collaboration with

Stapelfeldt group

Research trip



Talk

Philip Coulter Jul 2015 Southern Universities Spectroscopy and


Talk



Talk

Ang Guo Feb 2015 National Physics Laboratory,

Teddington

Academic Visit

Mar 2015 Scientific Analysis Instruments,

Manchester

Academic Visit

Jun 2015 63rd ASMS Conference on Mass

Spectrometry

Attended short

course + poster.

Andreas Iskra Apr 2014 GRC Molecular & Ionic clusters, Il

Ciocco, Italy Poster (2)

Jan 2015 RSC Spectroscopy and Dynamics Group


Poster (awarded

poster prize)

Apr 2015 HRSMC Tulip School VI 2015 Poster



Poster

Daisuke Koyama Jan 2015 RSC Spectroscopy and Dynamics Group

Meeting 2015, Nottingham

Poster

Eleanor Morris Jan 2015 RSC Spectroscopy and Dynamics Group

Meeting, Nottingham

Poster

35

Feb 2015 Visit to Bunch group at the NPL Scientific

exchange/fact-

finding

Oct 2015 Ourcon III conference, Pisa Poster

Victoria Walpole Jan 2015 RSC Spectroscopy and Dynamics


Poster

Jun 2015 26th International Conference on

Molecular Beams, Segovia, Spain

Poster



Talk



Poster

Matthew Bain Nov 2015 Brouard group, Oxford Working visit

Jan 2016 NSCCS MOLPRO workshop, Bristol Local organiser



Participant

Robert Burleigh Jan 2016 RSC Spectroscopy and Dynamics


Poster

Ethan Cunningham Jan 2016 RSC Spectroscopy and Dynamics


Participant

Hansjochen

Köckert

Dec 2015 DESY, Hamburg, Collaboration with

Marchenko group

Research visit



Poster

Jan 2016 NSCCS MolPro workshop, Bristol Participant

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