Substituent effects on the light-induced C–C and C–Br bond activation in (bisphosphine)(η2-tolane)Pt0 complexes. A TD-DFT study
Abstract
A theoretical study of the steric and electronic effects of different substituents on the electronic ground and excited states of (bisphosphine)(η2-tolane)Pt0 complexes is presented. A natural-bond-order (NBO) analysis has been performed to describe the bonding nature of the “hapto-like” coordination of the Pt atom to the
- This article is part of the themed collection: Time-dependent density-functional theory