Article ID Journal Published Year Pages File Type
10575602 Journal of Organometallic Chemistry 2005 5 Pages PDF
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.
Related Topics
Physical Sciences and Engineering Chemistry Inorganic Chemistry
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