A New Copper(I) Complex Based on 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole: Synthesis, Crystal Structure, Theoretical Study, Thermal Behavior and Luminescence

Journal of Chemical Sciences

WANG AI-JIAN¹  ZHOU KAI²  QIAN JUN¹  ZHAO WEI¹  CHEN AI-HUA1²  WANG CONG-CONG²  MENG SU-CI2¹ 

[1] School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013, People’s Republic of China$$;School of Chemistry & Chemical Engineering, Yancheng Institute of Technology, Yancheng 224051, People’s Republic of China$$

关键词: Copper(I) complex;    crystal structure;    dft calculations;    luminescence.;   

DOI  :  

来源: Indian Academy of Sciences

【 摘 要 】

The synthesis, characterization and structure of a 1D coordination polymer {[CuBr(3-abpt)]·2DMSO}n (1) (3-abpt = 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole) is described. X-ray structural analyses reveal that 1 exhibits a 1D ladder-like chain structure and each copper(I) center in 1 displays a distorted tetrahedral coordination geometry {CuN3Br}. 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. The luminescent property and thermal behavior of the complex were also investigated.

【 授权许可】

Unknown