Structural Analysis of Five-Coordinate Transition Metal Boryl Complexes with Different d-Electron Configurations
- 18 March 2004
- journal article
- research article
- Published by American Chemical Society (ACS) in Inorganic Chemistry
- Vol. 43 (8), 2541-2547
- https://doi.org/10.1021/ic035248e
Abstract
The site preference of boryl ligands in five-coordinate transition metal boryl complexes has been investigated with the aid of density functional theory calculations. The preferred site for a boryl ligand depends on the electron count of the complex under consideration. Our studies show that the very strong σ-donating boryl ligands choose to occupy coordination sites such that those orbitals accommodating metal d electrons have minimal metal−boryl σ*-antibonding character.This publication has 46 references indexed in Scilit:
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