Detailed three-dimensional, gas-phase structures are produced by

instrumental and computational methods. The Molecular Zoo

provides for selected organic molecules results from these experimental

and modeling methods. The results enable a critical comparison of methods.

This Web page also serves as a structural library as the structures for

each method and molecule are provided as a SYBYL mol2 coordinate file.

The experimental results are obtained from published microwave and

electron diffraction studies. The calculations were performed at

Pomona College using Spartan '02, Tripos SYBYL, and Allinger's MM3.

This page is a work in progress and is being developed by students of

The Claremont Colleges enrolled in Pomona Chemistry 164, Molecular

Structure and Modeling. The instructor, Wayne Steinmetz, dedicates

this page to his thesis advisor, E. Bright Wilson. Professor Wilson,

Pauling's first graduate student, was a generous and supporting thesis

advisor, a recognized leader in the field of molecular spectroscopy,

and devoted to his family, university, and country. For more details on

his distinguished career, consult the biographical sketch written

by George B. Kistiakowsky in the Festschrift issue of the

Journal of Physical Chemistry, 83, 4A-12A (1979).

Molecules in the Zoo (SMILES name in parentheses)

• anti acrolein (C=CC=O)
• aniline (c1(N)ccccc1)
• benzvalene (C1(C1,2)C=CC1,2)
• bicyclo[2.1.1]hex-2-ene (C1C(C2)C=CC2,1)
• 2-chloroethanol (ClCCO)
• ethylene ozonide (O1COOC1)
• formic anhydride (O=COC=O)
• furan (C1=CC=CO1)

last updated 12 March 2007, WES