Citation: ZHANG Qi, YU Liang-Min, XIA Shu-Wei, LI Xia, YAN Xing-Chen, NI Chun-Hua. Syntheses, Crystal Structures and Theoretical Calculation of Two Dinuclear Copper(Ⅱ) Complexes with Methoxybenzoic Acids Ligands[J]. Chinese Journal of Inorganic Chemistry, ;2015, (3): 585-593. doi: 10.11862/CJIC.2015.086 shu

Syntheses, Crystal Structures and Theoretical Calculation of Two Dinuclear Copper(Ⅱ) Complexes with Methoxybenzoic Acids Ligands

ZHANG Qi ¹ ,
YU Liang-Min ^1,2 ,
XIA Shu-Wei ¹ ,
LI Xia ^1,2 ,
YAN Xing-Chen ¹ ,
NI Chun-Hua ¹

1.
1 Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, Ocean University of China, Qingdao, Shandong 266100, China;
2.
2 Qingdao colobrative innovation center of marine science and technology, Ocean University of China, Qingdao, Shandong 266100, China

Received Date: 13 October 2014
Available Online: 23 December 2014
Fund Project: 国家自然科学基金(No.51003099、51102219) (No.51003099、51102219) 中国海洋大学青年教师专项基金(No.201013017、201113024) (No.201013017、201113024) 国家科技支撑计划 (No.2012BAB15B02)资助项目。 (No.2012BAB15B02)

Two complexes, Cu₂(L₁)₄(CH₃OH)₂ (1) and Cu₂(L₂)₄(CH₃OH)₂ (2) (HL1=2-methoxybenzoic acid, HL₂=2,3-dimethoxybenzoic acid) were synthesized and characterized by IR spectorscopy, elemental analysis, X-ray powder and X-ray single-crystal diffraction. Complex 1 crystallizes in monoclinic, space group P2₁/n; Complex 2 crystallizes in triclinic, space group P1. Both of the complexes have dinuclear structure, consisting of two Cu(Ⅱ) cations, four L ligands and two methanol ligands molecules, in which the L ligands are coordinated with copper cations by bidentate bridging coordination mode. The thermal stability of the complexes was investigated, and theoretical study of the complexes was carried out by Density Functional Theory(DFT) B3LYP method using Gaussian 09 program.
- methoxybenzoic acid;dinuclear copper(Ⅱ) complex;crystal structure;quantum chemistry calculation
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