title: Structural analysis of five-coordinate transition metal boryl complexes with different d-electron configurations.
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 sigma-donating boryl ligands choose to occupy coordination sites such that those orbitals accommodating metal d electrons have minimal metal-boryl sigma-antibonding character.
authors.affiliation: Department of Chemistry and Open Laboratory of Chirotechnology, Institute of Molecular Technology for Drug Discovery and Synthesis, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon.
authors.forename: King Chung
authors.initials: KC
authors.lastname: Lam
authors.forename: Wai Han
authors.initials: WH
authors.lastname: Lam
authors.forename: Zhenyang
authors.initials: Z
authors.lastname: Lin
authors.forename: Todd B
authors.initials: TB
authors.lastname: Marder
authors.forename: Nicholas C
authors.initials: NC
authors.lastname: Norman