Synthesis, Crystal Structure, Theoretical Study, and Luminescence Property of a Copper(I) Complex with Dipyrido[3,2-f:2′,3′-h]-quinoxaline

被引：3
作者：
Chen, Aihua [1 ,2 ]
Meng, Suci [2 ,4 ]
Zhang, Jinfang [2 ,3 ]
Zhang, Chi [2 ,3 ]
机构：
[1] Yancheng Inst Technol, Sch Chem & Biol Engn, Yancheng 224051, Peoples R China
[2] Jiangsu Univ, China Australia Joint Res Ctr Funct Mol Mat Sci R, Zhenjiang 212013, Peoples R China
[3] Jiangnan Univ, Sch Chem & Mat Engn, China Australia Joint Res Ctr Funct Mol Mat, Wuxi 214122, Peoples R China
[4] Nanjing Univ, Inst Theoret & Computat Chem, Sch Chem & Chem Engn, Key Lab Mesoscop Chem MOE, Nanjing 210093, Jiangsu, Peoples R China
来源：
MOLECULAR CRYSTALS AND LIQUID CRYSTALS | 2014年 / 605卷 / 01期
基金：
中国国家自然科学基金;
关键词：
Copper(I) complex; luminescence; crystal structure; DFT calculations; HALIDE-COMPLEXES; PHOTOPHYSICAL PROPERTIES; CU(I) COMPLEXES; LIGAND;
D O I：
10.1080/15421406.2014.887398
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The new copper(I) complex [CuCN(Dpq)(PPh3)] (1) (where Dpq = dipyrido[3,2-f:2 ',3 '-h]-quinoxaline, PPh3 = triphenylphosphine) has been synthesized and characterized by elemental analysis, Infrared spectroscopy, X-ray single crystal analysis, thermogravimetric, and fluorescent analysis. Single crystal X-ray diffraction analysis reveals that complex 1 display a favorable pairwise pi-pi stacking. Density functional theory and time-dependent density functional theory calculations at the B3LYP/LanL2DZf+6-31G* level were performed on complex 1 to rationalize its experimental absorption spectra. Fluorescent analysis reveals that complex 1 exhibit intense luminescence in dimethylfomamide solution at room temperature.
引用
收藏
页码：187 / 196
页数：10
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