| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9577384 | Chemical Physics Letters | 2005 | 7 Pages |
Abstract
Density functional theory has been applied to the analysis of NB-Co-CR interligand bonding in octahedral complexes of CoIII. Employing B-[CoIII(corrin)]-R+ models, it is shown that a change in the electron donating (or withdrawing) character of alkyl ligands (R) lengthens (or shortens) both interligand Co-CR and Co-NB bonds in accordance with the anomalous (or inverse) trans effect. Six molecular orbitals are required for the succinct description of this phenomenon, which lies in an unusual combination of a poor Ï/Ï-donor of the base (B) and an unusually strong Ï-donor of the alkyl group (R).
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Physical Sciences and Engineering
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Authors
Tadeusz Andruniow, Jadwiga Kuta, Marek Z. Zgierski, Pawel M. Kozlowski,