TY - JOUR

T1 - Gold(I)–Alkynyl Complexes with an N-Donor Heterocyclic Ligand. Synthesis and Photophysical Properties

AU - Shakirova, Julia R.

AU - Tomashenko, Olesya A.

AU - Grachova, Elena V.

AU - Starova, Galina L.

AU - Sizov, Vladimir V.

AU - Khlebnikov, Alexander F.

AU - Tunik, Sergey P.

PY - 2017/10/2

Y1 - 2017/10/2

N2 - A series of AuI–alkynyl complexes, containing an N-donor ligand (2-phenylpyrido[2,1-a]pyrrolo[3,2-c]isoquinoline) coordinated through the pyrrole nitrogen atom, were synthesized and characterized using X-ray crystallography and NMR spectroscopy. The obtained compounds are luminescent in solution and in the solid state, and the emission intensity depends on the nature of the alkynyl ligand to give values of quantum yield equal to 8.0 and 6.5 % for complexes 3 and 4, respectively, in dichloromethane solution at room temperature. The observed emission is ligand-centred fluorescence that is atypical for complexes of this type, which usually display phosphorescence determined by strong spin-orbit coupling with the heavy-metal ion. DFT calculations of the electronic structure of the complexes showed that the contribution of the gold orbitals to the states responsible for emission is nearly negligible and results in a low intersystem crossing rate and suppression of phosphorescence in the complexes studied.

AB - A series of AuI–alkynyl complexes, containing an N-donor ligand (2-phenylpyrido[2,1-a]pyrrolo[3,2-c]isoquinoline) coordinated through the pyrrole nitrogen atom, were synthesized and characterized using X-ray crystallography and NMR spectroscopy. The obtained compounds are luminescent in solution and in the solid state, and the emission intensity depends on the nature of the alkynyl ligand to give values of quantum yield equal to 8.0 and 6.5 % for complexes 3 and 4, respectively, in dichloromethane solution at room temperature. The observed emission is ligand-centred fluorescence that is atypical for complexes of this type, which usually display phosphorescence determined by strong spin-orbit coupling with the heavy-metal ion. DFT calculations of the electronic structure of the complexes showed that the contribution of the gold orbitals to the states responsible for emission is nearly negligible and results in a low intersystem crossing rate and suppression of phosphorescence in the complexes studied.

KW - Alkyne ligands

KW - Fluorescence

KW - Gold

KW - Luminescence

KW - N ligands

UR - http://www.scopus.com/inward/record.url?scp=85030182869&partnerID=8YFLogxK

U2 - 10.1002/ejic.201700731

DO - 10.1002/ejic.201700731

M3 - Article

AN - SCOPUS:85030182869

VL - 2017

SP - 4180

EP - 4186

JO - Berichte der deutschen chemischen Gesellschaft

JF - Berichte der deutschen chemischen Gesellschaft

SN - 0365-9496

IS - 36

ER -