S. Fox, J. Dunne, M. Tacke
Nov 1, 2002
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0
Influential Citations
42
Citations
Journal
European Journal of Inorganic Chemistry
Abstract
trans-[(1,2-Diphenyl-1,2-dicyclopentadienyl)ethanediyl]cobalt(III) hexafluorophosphate (1) was synthesised and its structure derived by X-ray crystallography and spectroscopic methods in conjunction with theoretical calculations. To gain an insight into the effect of these bridging atoms and the exocyclic substituents on the sandwich structure, a study was undertaken in which comparisons were drawn between this ansa-cobaltocenium ion and other previously reported structurally characterised metallocenes and ansa-metallocenes. DFT calculations were also performed to provide further data for this analysis, including reaction energies for the formation of, and breaking of, the bridging C−C bond to ascertain the extent to which this moiety imposes strain on the system. (© Wiley-VCH Verlag GmbH, 69451 Weinheim, Germany, 2002)