title: Gold(I) Vinylidene Complexes as Reactive Intermediates and Their Tendency to π-Backbond.
abstract: We herein report a computational study of the bonding in gold(I) vinylidene complexes and compare them to their carbene and CO analogues. The relevance of these intermediates is analysed for the intramolecular cyclisation leading to vinyl sulfonates.
authors.affiliation: Organisch-Chemisches Institut, Ruprecht-Karls-Universität Heidelberg, Im Neuenheimer Feld 270, 69120, Heidelberg, Germany.
authors.forename: Laura
authors.initials: L
authors.lastname: Nunes Dos Santos Comprido
authors.affiliation: Department of Chemistry, University of Minnesota, 207 Pleasant St SE, Minneapolis, MN, 55455, USA.
authors.forename: Johannes E M N
authors.initials: JE
authors.lastname: Klein
authors.affiliation: Department of Chemistry, Pennsylvania State University, 401A Chemistry Bldg, University Park, PA, 16802, USA.
authors.forename: Gerald
authors.initials: G
authors.lastname: Knizia
authors.affiliation: Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70569, Stuttgart, Germany.
authors.forename: Johannes
authors.initials: J
authors.lastname: Kästner
authors.affiliation: Organisch-Chemisches Institut, Ruprecht-Karls-Universität Heidelberg, Im Neuenheimer Feld 270, 69120, Heidelberg, Germany. hashmi@hashmi.de.|Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah, 21589, Saudi Arabia. hashmi@hashmi.de.
authors.forename: A Stephen K
authors.initials: AS
authors.lastname: Hashmi
keywords: carbene; computational chemistry; gold; vinylidene