Slip to π Ru: structural distortions due to metal-iminoxolene π bonding.

Patricia Rose H AysonSeth N Brown

Published in: Chemical communications (Cambridge, England) (2023)

Both pseudo-octahedral and pseudo-square pyramidal bis-iminoxolene complexes trans -(Diso) 2 RuCl 2 and trans -(Diso) 2 Ru(PPh 3 ) are structurally distorted, with the ruthenium atom slipping off the twofold axis of the idealized coordination polyhedra. These distortions take place because they allow or enhance π interactions between ruthenium and the iminoxolene π orbitals.

Keyphrases

energy transfer
density functional theory
molecular dynamics
ionic liquid