ISSN:
0192-8651
Keywords:
Computational Chemistry and Molecular Modeling
;
Biochemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
,
Computer Science
Notes:
Benzylic anions were studied with the semiempirical MNDO molecular orbital method. Structural changes were analyzed as metal counterions and solvents were allowed to interact with the benzylic carbon. Generally, benzylic carbanions were found to be trigonal planar but became pyramidal or bent when metals were included in the calculation.
Additional Material:
8 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/jcc.540060621
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