title: Coinage Metal Complexes of Bis-Alkynyl-Functionalized N-Heterocyclic Carbenes: Reactivity, Photophysical Properties, and Quantum Chemical Investigations.
abstract: Bis-phenylpropynyl-functionalized imidazolium salts and their corresponding gold and copper N-heterocyclic carbene (NHC) complexes were prepared in order to investigate their potential application for the synthesis of heterometallic coinage metal compounds. By transmetalation reactions with different precious metal sources, including copper and silver phenylacetylides [MCCPh]n(M=Cu, Ag), polynuclear compounds were obtained, which were further investigated for their photoluminescence properties. Additionally, one gold NHC complex was post-functionalized by autocatalytic hydration of the alkynyl side chains. Time-dependent DFT investigations of singlet electronic excitations in representative complexes revealed excited states of diverse character, as determined by the specific complex structure and metallophilic interactions.
authors: Institute of Inorganic Chemistry, Karlsruhe Institute of Technology (KIT), Engesserstrasse 15, 76131, Karlsruhe, Germany.
authors: Claude
authors: C
authors: Kiefer
authors: Institute of Inorganic Chemistry, Karlsruhe Institute of Technology (KIT), Engesserstrasse 15, 76131, Karlsruhe, Germany.
authors: Sebastian
authors: S
authors: Bestgen
authors: Institute of Inorganic Chemistry, Karlsruhe Institute of Technology (KIT), Engesserstrasse 15, 76131, Karlsruhe, Germany.
authors: Michael T
authors: MT
authors: Gamer
authors: Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), Fritz-Haber Weg 2, 76131, Karlsruhe, Germany.
authors: Michael
authors: M
authors: Kühn
authors: Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344, Eggenstein-Leopoldshafen, Germany.
authors: Sergei
authors: S
authors: Lebedkin
authors: Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344, Eggenstein-Leopoldshafen, Germany.|Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), Fritz-Haber Weg 2, 76131, Karlsruhe, Germany.
authors: Florian
authors: F
authors: Weigend
authors: Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344, Eggenstein-Leopoldshafen, Germany.|Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), Fritz-Haber Weg 2, 76131, Karlsruhe, Germany.
authors: Manfred M
authors: MM
authors: Kappes
authors: Institute of Inorganic Chemistry, Karlsruhe Institute of Technology (KIT), Engesserstrasse 15, 76131, Karlsruhe, Germany.
authors: Peter W
authors: http://orcid.org/0000-0002-0915-3893
authors: PW
authors: Roesky
keywords: alkyne ligands; carbene ligands; gold; heterometallic complexes; luminescence