Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
10575602 | Journal of Organometallic Chemistry | 2005 | 5 Pages |
Abstract
The bond dissociation enthalpies of η5-coordinated pyrrolyl and cyclopentadienyl complexes with group 4 metals, [M(η5-X)Cl3], are calculated by means of a thermochemical cycle combining DFT/B3LYP results and experimental data. The values obtained for D(M-Cp) and D(M-pyr) are very similar, suggesting that the known instability of pyrrolyl complexes, when compared to cyclopentadienyl analogues, should be caused by kinetic reasons.
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Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
Authors
Alberto R. Dias, Luis F. Veiros,