Coinage metals binding as main group elements: structure and bonding of the carbene complexes [TM(cAAC)2] and [TM(cAAC)2](+) (TM = Cu, Ag, Au).

Jerabek, Paul; W Roesky, Herbert; Bertrand, Guy; Frenking, Gernot

doi:10.1021/ja508887s

Public

Coinage metals binding as main group elements: structure and bonding of the carbene complexes [TM(cAAC)2] and [TM(cAAC)2](+) (TM = Cu, Ag, Au).

Shared by NobleBlocks on Dec 10, 2014 • 12:00 AM UTC

Authors:

Paul Jerabek

Herbert W Roesky

Guy Bertrand

Abstract

Quantum chemical calculations using density functional theory have been carried out for the cyclic (alkyl)(amino)carbene (cAAC) complexes of the group 11 atoms [TM(cAAC)2] (TM = Cu, Ag, Au) and their cations [TM(cAAC)2](+). The nature of the metal-ligand bonding was investigated with the charge and ...

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