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ERIC Number: EJ1079266
Record Type: Journal
Publication Date: 2015-Oct
Pages: 8
Abstractor: As Provided
ISSN: ISSN-0021-9584
Fischer and Schrock Carbene Complexes: A Molecular Modeling Exercise
Montgomery, Craig D.
Journal of Chemical Education, v92 n10 p1653-1660 Oct 2015
An exercise in molecular modeling that demonstrates the distinctive features of Fischer and Schrock carbene complexes is presented. Semi-empirical calculations (PM3) demonstrate the singlet ground electronic state, restricted rotation about the C-Y bond, the positive charge on the carbon atom, and hence, the electrophilic nature of the Fischer carbene complex. Likewise, the triplet ground state of the Schrock carbene complex, along with the negative charge on the carbon atom and nucleophilic behavior, is also demonstrated.
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; Postsecondary Education
Audience: N/A
Language: English
Sponsor: N/A
Authoring Institution: N/A
Grant or Contract Numbers: N/A