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Charles E. Ophardt, Elmhurst College, Elmhurst, Ill 60126

Inorganic Molecules: A Visual Database is a CD-ROM that contains text and graphics describing 66 molecules and ions commonly used as examples in general chemistry courses. For each molecule, fifteen molecular properties are presented visually by at eight or nine different molecular models created by the CAChe Scientific Molecular Modeling program. In addition, each molecule in ball/stick format (including lone pair electrons) can be rotated in three dimensions. The visual database is accessed interactively from a HyperCard stack.

Molecular property information includes: ball/stick model, covalent radii, van der Waals radii, Lewis structure, resonance structures, bond angle, bond length, electronegativity, partial charge, dipole moment, electron pair geometry, molecular geometry, hybridization, electrostatic potential, and molecular orbitals (HOMO and LUMO). The molecular graphics are presented in reduced graphic views in sets of two, three, or four, with the ability to enlarge any of them.

In addition, each molecule in ball/stick format, including lone pair electrons, is animated by appropriate rotations about the x, y, and z axis in a QuickTime movie. All molecular orbitals and MO diagrams are included for seven common diatomic molecules, as well as, water, ammonia, and carbon dioxide. Finally, a visual help data set is available to explain more details about each molecular property.

Another feature of the database is the ability to compare the visual properties of any two molecules, simultaneously. The visual graphics are shown in a reduced form, side by side, with the ability to enlarge them. There are a variety of presorted lists of molecules for comparison, such as diatomics, triatomics, linear, trigonal planar, tetrahedral, polar, non-polar, and more.

One use for the visual database is enhancement of lecture presentations, adding visual information to bring to life dull chalkboard representations of a molecule using a large TV monitor or other large screen projection device. The molecules and labels are scaled appropriately large for this purpose. Any time during a lecture that a particular molecule is mentioned for any purpose, it is easy to bring the molecule to life as an animation or any other visual formats as the situation requires. It is invaluable to be able to compare two molecules for geometry, bond angles, bond lengths, MO's, etc.

The visual molecule database may be used interactively by students to "discover" important concepts about molecules. Discovery type problems with suggested molecule sets are used to answer specific questions about molecular properties.

System Requirements: MAC computer, 7.x System, 8MB RAM, CD-ROM 2x or greater speed, HyperCard 2.x, QuickTime 2.0

Available from: JCE: Software

Vol.8 C, No. 1 (for Macintosh)
Abstract: J.Chem. Educ., 1996, 73, 246.

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