Citation: MA Xiao-Hui, LI Fei-Fei, CEN Pei-Pei, LIU Xiang-Yu, ZHOU Hui-Liang, LUO Shu-Chang, WU Yue-Wei, ZHANG Cheng-Cheng, SONG Wei-Ming. One-Dimensional Cu(Ⅱ)Chain Compound with Simultaneous EO-Azido and Carboxylato Bridges Displaying Strong Ferromagnetic Coupling:Synthesis, Crystal Structure, Magnetic Properties with DFT Calculations[J]. Chinese Journal of Inorganic Chemistry, ;2017, 33(9): 1639-1648. doi: 10.11862/CJIC.2017.174 shu

One-Dimensional Cu(Ⅱ)Chain Compound with Simultaneous EO-Azido and Carboxylato Bridges Displaying Strong Ferromagnetic Coupling:Synthesis, Crystal Structure, Magnetic Properties with DFT Calculations

1.
College of Chemistry and Chemical Engineering, State Key Laboratory of High-efficiency Coal Utilization and Green Chemical Engineering, Ningxia University, Yinchuan 750021, China
2.
School of Chemical Engineering, Guizhou University of Engineering Science, Bijie, Guizhou 551700, China

Corresponding author: LIU Xiang-Yu, xiangyuliu432@126.com LUO Shu-Chang, luosc@gues.edu.cn SONG Wei-Ming, songwm@nxu.edu.cn
Received Date: 13 April 2017
Revised Date: 17 May 2017

Figures(5)

An azido-Cu(Ⅱ)compound with substituted benzoate derivative, [Cu(4-Fb)(N₃)(H₂O)]_n (1) (4-Fb=4-form-ylbenzoate), has been successfully synthesized, and then structurally and magnetically characterized. Single crystal structure analysis demonstrates that the asymmetric unit of compound 1 possesses one crystallographically independent Cu(Ⅱ)ion that exhibits distorted tetragonal pyramid geometry. Adjacent Cu(Ⅱ)ions are linked by alternating mixed-bridges of μ-1, 1(end-on, EO) azido and syn, syn-carboxylate, forming a linear 1D Cu(Ⅱ)chain-like motif. Magnetic measurements reveal that the dominant ferromagnetic coupling between adjacent Cu(Ⅱ)ions within each chain due to the counter-complementarity of the dual superexchange pathway is observed in the resulting compounds. However, the interesting plots of magnetic ordering and slow magnetic relaxation are absent in the compound. The critical structural parameter, Cu-N-Cu angle of 113.34°, is corresponding to that of known ferromangetic copper systems containing mixed carboxylate/EO-azido connectors. Magneto-structural correlations are also investigated. Moreover, density functional theory (DFT) calculations (using different methods and basis sets) have been performed on title compound to offer qualitatively theoretical explanation for the ferromagnetic coupling between two Cu(Ⅱ)centers.CCDC:1496426.
- azido-copper,
- benzoate,
- crystal structure,
- magnetic property,
- DFT calculation
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