A luminescent binuclear Cu(I) complex constructed by bipyridine, TD-DFT calculation, and its fluorescent sensing properties for VOCs

被引:3
作者
Xu, Wen-Ze [1 ]
Song, Li [2 ]
Jin, Hong-Xiao [1 ]
Jin, Ding-Fen [1 ]
Wei, Xin-Yu [1 ]
Zhang, Yu-Xin [1 ]
Shen, Hang-Yan [1 ]
Chai, Wen-Xiang [1 ,3 ]
机构
[1] China Jiliang Univ, Coll Mat & Chem, Hangzhou 310018, Peoples R China
[2] Zhejiang Sci Tech Univ, Dept Chem, Hangzhou 310018, Peoples R China
[3] Huaqiao Univ, Engn Res Ctr Environm Friendly Funct Mat, Minist Educ, Xiamen 361021, Peoples R China
关键词
Binuclear Cu(I) complex; Photoluminescence; Fluorescent sensing; TD-DFT calculation; VOCs; ACTIVATED DELAYED FLUORESCENCE; HETEROLEPTIC CUPROUS COMPLEX; COPPER(I) HALIDE-COMPLEXES; LIGAND SYNTHESIS; COORDINATION-COMPOUNDS; DIPHOSPHINE LIGANDS; CLUSTER; ELECTROLUMINESCENCE; PHOTOLUMINESCENCE; PHOTOPHYSICS;
D O I
10.1016/j.molstruc.2024.139283
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The design and research of materials with strong luminescence and fluorescence sensing for the detection of volatile organic compounds (VOCs) are of great significance and challenge. Herein, we report a binuclear Cu(I) complex, [Cu2(POP)2(MeCN)2(4,4 '-bipy)](PF6)2 (2), which is synthesized rationally through a substitution reaction between complex [Cu(POP)(4-PBO)(MeCN)](PF6) (1) and 4,4 '-bipy lignand (POP is bis[2-(diphenylphosphino)phenyl]ether, 4,4 '-bipy is bipyridine, 4-PBO is 2-(4 '-pyridyl)-benzoxazole). The complex 2 was characterized by single-crystal X-ray diffraction as an isolated binuclear structure constructed by a bridged 4,4 ' bipy ligand. Under UV irradiation, both the powder and doped thin film of 1 and 2 exhibit broadband photoluminescence emission. The TD-DFT calculation reveals the details of the electronic transitions corresponding to the light absorption and emission of the two complexes, and also illustrates that the improved luminescence of 2 compared to 1 is due to the T1 excited state transforms from a localized transition to a charge transfer transition similar to the S1 excited state and the extremely small energy gap Delta E(S1-T1) value of 0.09 eV (2). Based on these complexes, fluorescent test strips were developed. It is gratifying to find that the test strip based 2 shows a distinguishable fluorescence response behavior to a variety of VOCs. Especially, the test strip showed a rapid quenching fluorescence response to acetophenone, and a rapid quenching followed by rapid enhancement fluorescence response to acetonitrile. Therefore, it can be used for rapid and highly selective fluorescence sensing detection of acetonitrile and acetophenone.
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页数:8
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