Structural analysis of five-coordinate transition metal boryl complexes with different d-electron configurations.
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.
Lam
King Chung
KC
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.
Lam
Wai Han
WH
Lin
Zhenyang
Z
Marder
Todd B
TB
Norman
Nicholas C
NC