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ERIC Number: EJ927021
Record Type: Journal
Publication Date: 2011-Apr
Pages: 5
Abstractor: As Provided
Reference Count: 16
ISSN: ISSN-0021-9584
Testing and Extending VSEPR with WebMO and MOPAC or GAMESS
McNaught, Ian J.
Journal of Chemical Education, v88 n4 p421-425 Apr 2011
VSEPR is a topic that is commonly taught in undergraduate chemistry courses. The readily available Web-based program WebMO, in conjunction with the computational chemistry programs MOPAC and GAMESS, is used to quantitatively test a wide range of predictions of VSEPR. These predictions refer to the point group of the molecule, including the influence of lone pairs on bond angles (introductory course) as well as the effect of lone pairs and other bonds on bond lengths, the influence of multiple bonds and electronegativity, and preferred location of ligands in heteroleptic compounds (topics covered in courses beyond the introductory level). The qualitative predictions of VSEPR are augmented with quantitative results. (Contains 10 tables and 1 note.)
Division of Chemical Education, Inc and ACS Publications Division of the American Chemical Society. 1155 Sixteenth Street NW, Washington, DC 20036. Tel: 800-227-5558; Tel: 202-872-4600; e-mail:; Web site:
Publication Type: Journal Articles; Reports - Descriptive
Education Level: Higher Education
Audience: N/A
Language: English
Sponsor: N/A
Authoring Institution: N/A