Structural preference in complexes containing both double-face and single-face π-acceptor ligands

The development of the Dewar–Chatt–Duncanson model has a great impact on coordination/organometallic chemistry in terms of understanding the structure and bonding in metal complexes containing π-accepting ligands. The majority of π-acceptor ligands can be categorized into two types: double-face and single-face π-accepting ligands. Metal complexes containing both single-face and double-face π-accepting ligands show unique structural preferences. In this paper, the structural consequence for these complexes will be discussed with the aid of density functional theory calculations. Examples include η1-alkenyl, η2-silane, η2-alkene and boryl octahedral complexes.