Institut deQuímicaComputacional |
UdGUniversitat de Girona |
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The carbene carbon in Fischer-type complexes is considered to have a trigonal planar geometry, carbon hybridization being approximately sp2. The distances between this carbon atom and its substituents are expected to be short relative to single bonds. As can be seen from Table 2, the bond length between the carbene C6 atom and its alkenyl substituent (C7) is midway between that of a C-C single bond (1.54 Å) and that of a C=C double bond (1.34 Å). Also the bond distance between C6 and O6 is shorter than a typical C-O single bond (1.43 Å). However, causes are different; electron delocalization along conjugated bonds is the major factor responsible for the shortening of the C6-C7 bond, whereas in the case of the C6-O6 bond electrostatic effects largely account for the shortening. Contributions of the [(CO)5Cr--C(OH)=C(H)-C+(H2)] (and slightly [(CO)5Cr--C=O+(H)(C2H3)]) valence-bond resonance forms, respectively, are thereby implied.