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      Permanent link:
      https://www.ias.ac.in/article/fulltext/jcsc/129/02/0185-0191

    • Keywords

       

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

    • Abstract

       

      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.

    • Author Affiliations

       

      CHEN AI-HUA1 MENG SU-CI2 ZHOU KAI1 WANG CONG-CONG1 ZHAO WEI2 WANG AI-JIAN2 QIAN JUN2

      1. School of Chemistry & Chemical Engineering, Yancheng Institute of Technology, Yancheng 224051, People’s Republic of China
      2. School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013, People’s Republic of China
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    • Supplementary Material

       
  • Journal of Chemical Sciences | News

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