Citation: Sheng TANG, Rong-Min YU, Can-Zhong LU. Synthesis, Crystal Structure and Photoluminescence of a TADF Dinuclear Cu(I) Complex[J]. Chinese Journal of Structural Chemistry, ;2021, 40(9): 1145-1151. doi: 10.14102/j.cnki.0254–5861.2011–3130 shu

Synthesis, Crystal Structure and Photoluminescence of a TADF Dinuclear Cu(I) Complex

Sheng TANG ^{a, b} ,
Rong-Min YU ^b,, ,
Can-Zhong LU ^{b, c,,}

a.
College of Chemical Engineering, Fuzhou University, Fuzhou 350116, China
b.
CAS Key Laboratory of Design and Assembly of Functional Nanostructures, and Fujian Provincial Key Laboratory of Nanomaterials, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China
c.
University of Chinese Academy of Sciences, Beijing 100049, China

Corresponding author: Rong-Min YU, rongminyu@fjirsm.ac.cn Can-Zhong LU, czlu@fjirsm.ac.cn
Received Date: 12 February 2021
Accepted Date: 16 March 2021

Fund Project: the National Natural Science Foundation of China 21521061the National Natural Science Foundation of China 51672271the National Natural Science Foundation of China 21671190

Figures(6)

A binuclear Cu(I) complex [Cu(PCNP)(mepypz)]₂(BF₄)₂ (1, PCNP = 2, 6-bis(diphenylphosphine)-benzonitrile, mepypz = 2-(1H-pyrazol-3-yl)pyridine) was synthesized from the reaction of Cu(CH₃CN)₄BF₄, PCNP and mepypz in CH₂Cl₂ at room temperature. The compound was characterized by NMR, UV-vis and X-ray single-crystal structure analysis. It crystallizes in monoclinic space group P2₁/c with a = 14.0139(5), b = 11.8149(3), c = 27.1248(10) Å, β = 96.686(4)°, V = 4460.6(3) Å³, Z = 2, M_r = 1561.97, D_c = 1.163 g/cm³, F(000) = 1600.0, μ = 1.774 mm^–1, GOOF = 1.071, the final R = 0.0523 and wR = 0.1412 for 7919 observed reflections with I > 2σ(I). The Cu atoms in the complex are four-coordinated and adopt a distorted tetrahedral coordination geometry. In the solid state, the complex exhibits yellowish-green emission with a peak wavelength of 546 nm, a lifetime of 390 μs, and a quantum yield of 0.45 at room temperature. The temperature-dependent investigation of luminescent properties suggests that the complex emits thermally activated delayed fluorescence (TADF) at room temperature.
- Cu(I) complex,
- crystal structure,
- photoluminescence,
- DFT calculation
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