Structure of metal-carbenoid intermediates derived from the dirhodium(II)tetracarboxylate mediated decomposition of α-diazocarbonyl compounds:: a DFT study

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.