Solution dynamics of agostic interactions in T-shaped Pt(ii) complexes from ab initio molecular dynamics simulations†
Abstract
Transition metal complexes forming agostic interactions have been extensively surveyed. However, the dynamic behaviour of these interactions is less documented though it could be crucial in chemical processes. For this purpose, ab initio molecular dynamics simulations (AIMD) of some representative T-shaped Pt(II) complexes (quantum mechanics) have been performed in an explicit dichloromethane