Journal
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Volume 581, Issue -, Pages 111-115Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/S0166-1280(01)00747-3
Keywords
dirhodium(II)tetracarboxylate; carbenoid; density functional theory
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The structure of six dirhodium(II)-carbenoid complexes are obtained at DFT level of theory and discussed in terms of their geometrical and electronic characteristics. The most interesting result, among the studied series, is that the carbenoid carbon atom bears a partially negative charge, the magnitude of which is relatively independent of the nature of the carbon atom substituents. (C) 2002 Elsevier Science B.V. All rights reserved.
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