DLPNO-CCSD(T) and DFT study of the acetate-assisted C-H activation of benzaldimine at [RuCl2(p-cymene)]2: the relevance of ligand exchange processes at ruthenium(II) complexes in polar protic media

This article is licensed under aCreative Commons Attribution 3.0 Unported Licence.Vicente Ojea, Mar ía Ruiz To gain mechanistic insight into the acetate-assisted cyclometallations of arylimines promoted by [RuCl2(p-cymene)]2 in polar protic media, DFT geometry optimizations (with M06 andωB97X-D3 functionals and cc-pVDZ-PP[Ru] basis set) followed... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Dalton Trans. latest articles - April 26, 2024 Category: Chemistry Authors: Vicente Ojea Source Type: research