SpartanModel An Electronic Model Kit - … An Electronic Model Kit a product overview for Chemistry...
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SpartanModel An Electronic Model Kit a product overview for Chemistry Instructors Wavefunction, Inc. March 2005
Transcript of SpartanModel An Electronic Model Kit - … An Electronic Model Kit a product overview for Chemistry...
SpartanModelAn Electronic Model Kit
a product overviewfor Chemistry Instructors
Wavefunction, Inc.March 2005
So, what is SpartanModel ?1. Spartan Model is an electronic model kit designed to
replace the existing plastic model kits used in organic chemistry education.
2. SpartanModel is a stand-alone molecular modeling program developed for chemistry students. Each copy includes the software on CD-ROM, an extensive molecular database, 3-D glasses, and the Tutorial and User’s Guide (100 page printed manual) with 50 pages of activities for Organic Chemistry.
3. SpartanModel is a replacement for the molecule viewer/builder (SpartanView/Build) that has been included in several Organic Chemistry texts and supplements over the last 6 years (Carey, McMurry, Bruice, Wade).
4. SpartanModel offers distinct advantages over:
- plastic model kits (MolyMod, Darling)- freeware/shareware programs (Chime, JMol)
+Tetrahedral (SP3) Carbon
Carboxylic Acid Group
Acetic Acid
H-O-H Bond Angle in Water H-C-H Bond Angle in Methane– 105° – – 109.5 ° –
No limits to what can be constructed (from H+ to DNA):
SpartanModel offers visualization in multiple model styles:
Highly accurate models:
Advantages over plastic model kits:
Space Filling shows molecule sizeWire and Ball and Wire show connectivity Tube and Ball & Spoke atom positions
Ethane Ethylene AcetyleneCC*
Bond Length: 1.54 Å > 1.32 Å > 1.19 Å
*Note the decrease in CC bond distance from Ethane to Ethylene to Acetylene
Retrieval of high level QM calculation results provides both accurate molecular
structure and a number of molecular properties including: gas phase energy, aqueous solvation energy,
HOMO & LUMO energies, dipole moment, atomic charges, infrared spectra, molecule name, molecular weight and symmetry.
Multiple Models – SpartanModel illustrates intermolecular forces:
Stereochemistry – One of the most difficult concepts for students to comprehend. SpartanModel provides excellent visualization of R/S Chirality and allows for students to self-test via enabling R/S labels:
Advantages over plastic model kits (cont’d):
Above an ‘S’ designates the stereochemistry of the chiral center for a common organic molecule 2-hyrdoxypropanal.
Above, two alternately labeled (by element and by chirality) hypothetical molecules. SpartanModel determines R/S chirality for any molecule (even those that may not exist).
At left 2 DNA base pairs are seen, The A-T linkage (top pair) can be clearly identified by the 2 Hydrogen Bonds (in blue). The lower base pair (G-C) are linked with 3 Hydrogen Bonds.
In this model all hydrogens (save those which might make hydrogen bonds) have been deleted for purposes of emphasizing base pair interaction.
VSEPR Theory – SpartanModel provides all VSEPR shapes and can even build planes to emphasize VSEPR geometries:
SpartanModel is compatible with common student productivity applications (MS Word, PowerPoint, etc.) Copy/Paste functions facilitate using SpartanModel images for homework, papers, lab reports, etc.
Advantages over plastic model kits (cont’d):
Ammonia – Trigonal Pyramidal Methane – TetrahedralPhosphorous pentachloride
Trigonal bipyramidal
Sulfur hexaflouride – Octahedral
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SpartanModel vs. Free-ware / Share-ware plug-ins (Chime / JMol / etc.)
SpartanModel is a commercially developed molecular modeling program with a fully integrated user-interface, calculation engine, molecular database, and included chemistry content
Organic, Inorganic, Peptide & Nucleotide builders enable the construction of ANY molecule and SpartanModel can open PDB (protein databank) files –AND– files created with Spartan software (which is used in >1000 US colleges and universities, more than 2000 colleges and universities worldwide.)
SpartanModel accesses a database of thousands of high level quantum mechanics calculations to provide accurate molecular structure and properties
SpartanModel is fully compatible with WinXP and MacOS X 3.0 & higher
Once installed SpartanModel does not require internet connectivitySpartanModel is an affordable ($30 SRP) stand-alone modeling tool which compliments the
modern chemistry curricula
Delivers a complete range or tools:
• Organic & Inorganic Builders• Peptide & Nucleotide Builders• Molecular Mechanics Calculations• Display of bond-type in all model styles• Display of Hydrogen Bonds
• Ribbon Style Displays for biopolymers• Connection to a QM Database• Generation of Electrostatic Potential Maps• Automatic Centering of Molecules• Cut/Paste feature for generating graphics
. . .and much more!. . .and much more!
• Customizable Labels• R/S Chirality display• Display of calculate IR Spectra• Customizable colors & fonts• Display of calculated dipole moments
Your School already has a molecular modeling lab:Your students can now own an affordable modeling program for their own computers
Not all of your students have computers:Schools that adopt SpartanModel for Organic Chemistry can license SpartanModel annually for campus
computer labs - $10 per seat (site licenses for $2000 per year)
As an instructor, you’d need SpartanModel on more than one computer:Faculty may, upon approval, receive another activation code for an additional computer
Why should your students be using SpartanModel??
You prefer plastic models because your students can ‘touch/hold/move’ them:Any manipulation available with plastic models is available in SpartanModel – AND much more – see slides 3-6
You don’t use computers or molecular modeling when teaching organic chemistry:Molecular modeling is an extensively utilized tool in both academic and commercial chemistry research – A complete
chemistry education should include exposure to modern with chemistry technologies
ACS Committee on Professional Training – Fall 2002 Update to the Undergraduate Chemistry Guidelines:Computational Chemistry courses may be counted toward the laboratory-hour requirement.
http://www.chemistry.org/portal/resources/ACS/ACSContent/education/cpt/CPT_Fall_Newsletter_2002.pdf
ACS Committee on Professional Training – Undergraduate Professional Education in Chemistry Spring 2003 Guidelines:Computer workstations for computational chemistry and molecular modeling are highlighted as primary tools under
equipment and instrumentation for “good undergraduate chemistry programs.”
http://www.chemistry.org/portal/resources/ACS/ACSContent/education/cpt/guidelines_spring2003.pdf
Wavefunction Contact Information:
Email [email protected] (949) 955 2120
SpartanModel. . . puts chemistry at your fingertips.
Help with SpartanModel Activation: [email protected]
Support: [email protected]
Academic Sales: [email protected]
Wavefunction conducts half-day molecular modeling workshops with emphasis on implementing modeling into your chemistry curriculum.For more information about hosting a workshop at your school, contact:
Wavefunction, Inc.18401 Von Karman Ave Suite 370
Irvine, CA 92612www.wavefun.com
