Citation: DONG Jin-Long, SONG Zhen, ZHU Rui-Tao, ZHAO Ting-Ting, LI Hao-Yang, REN Jian-Guo. Hydrothermal Synthesis, Crystal structure, DFT and Application of a Dinuclear Cadmium(II) Complex Based on NPHSNPAB[J]. Chinese Journal of Structural Chemistry, ;2016, 35(12): 1876-1884. doi: 10.14102/j.cnki.0254-5861.2011-1164 shu

Hydrothermal Synthesis, Crystal structure, DFT and Application of a Dinuclear Cadmium(II) Complex Based on NPHSNPAB

DONG Jin-Long ^a,b,*,, ,
SONG Zhen ^a ,
ZHU Rui-Tao ^a ,
ZHAO Ting-Ting ^a ,
LI Hao-Yang ^a ,
REN Jian-Guo ^b,*,,

a.
Department of Chemistry, Taiyuan Normal University, Taiyuan 030031, China
b.
School of Chemistry and Chemical Engineering, Shanxi University, Taiyuan 030006, China

Corresponding author: DONG Jin-Long, dongjinlong20123@163.com REN Jian-Guo, renjg@sxu.edu.cn
Received Date: 2 February 2016
Accepted Date: 19 April 2016

Fund Project: Soft Science project of Shanxi Provinc 2013041020-03

Figures(7)

A new dinuclear cadmium(II) complex,[Cd(NPHSNPAB)(H₂O)₂(CH₃CH₂OH)]₂ (1), was synthesized by the hydrothermal reaction of N-phenyl-2-[2-hydroxyl-3-sulfo-5-nitrophenylazo] butadiene-1,3 (NPHSNPAB) and Cd(NO₃)₂·4H₂O, and characterized by elemental analysis, infrared, UV-visible, fluorescence, thermal behavior and single-crystal X-ray diffraction. For this complex:C₃₆H₄₂Cd₂N₈O₂₂S₂, M_r=1227.74, triclinic system, space group 1, a=7.555(9), b=12.006(14), c=13.943(16)Å, α=67.955(2), β=88.573(2), γ=77.550(2)°, V=1142.5(2)Å³, Z=2, D_c=1.784 g/cm³, λ=0.71073Å, F(000)=620, S=1.125, R=0.0460 and wR=0.1159 for 3949 observed reflections with I>2(I). X-ray diffraction analysis reveals that the central Cd(II) ion is bound by six oxygen atoms, forming a slightly distorted octahedral geometry. Density functional theory of complex 1 was studied. Noticeably, the application of 1 on metallic yarn got good effect.
- dinuclear cadmium(II) complex,
- hydrogen-bonding,
- π-π stacking,
- DFT
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