Four-coordinate N-heterocyclic carbene (NHC) copper(I) complexes with brightly luminescence properties. Issue 4 (16th February 2017)

• Record Type: Journal Article
• Authors: Liu, Shaobo; Xu, Shengxian; Wang, Jinglan; Zhao, Feng; Xia, Hongying; Wang, Yibo
• Is Part Of: Journal of coordination chemistry. Volume 70:Issue 4(2017)
• Page Start: 584
• Page End: 599
• Publication Date: 2017-02-16
• Subjects: Copper(I) complex -- N-heterocyclic carbene -- four-coordinate -- density functional theory -- excited-state lifetime; Coordination compounds -- Periodicals; 541.2242
• DOI: 10.1080/00958972.2016.1278075
• Languages: English
• ISSNs: 0095-8972

Abstract

Abstract: Three four-coordinate N-heterocyclic carbene (NHC) copper(I) complexes, [Cu(Py-Im)(POP)](PF6 ) (P1 ), [Cu(Py-BenIm)(POP)](PF6 ) (P2 ), and [Cu(Py- c -BenIm)(POP)](PF6 ) (P3 ) (Py-Im = 3-methyl-1-(pyridin-2-yl)-1H-imidazolylidene, Py-BenIm = 3-methyl-1-(pyridin-2-yl)-1H-benzo[d]imidazolylidene, Py- c -BenIm = 3-methyl-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazolylidene, POP = bis([2-diphenylphosphino]-phenyl)ether), have been synthesized without transmetalation of the NHC–Ag(I) complex for the first time. The photophysical properties of the resultant NHC–Cu(I) complexes have been systematically investigated via spectroscopic methods. All complexes exhibit good photoluminescence properties with long excited-state lifetimes and moderate quantum yields. Density functional theory and time dependent density functional theory calculations were employed to rationalize the photophysical properties of the NHC–Cu(I) complexes. Abstract :