Citation:
GAO Gui-Yuan, SUN Li-Na, FENG Chao, QU Zhi-Rong, FAN Yan, ZHAO Hong. Synthesis, Crystal Structure and Thermal Stability of a New Cadmium(Ⅱ) Polymer Based on 1H-pyrazole-3-carboxylic Acid Ligand[J]. Chinese Journal of Structural Chemistry,
2015, 34(4): 611-618.
doi:
10.14102/j.cnki.0254-5861.2011-0541
Synthesis, Crystal Structure and Thermal Stability of a New Cadmium(Ⅱ) Polymer Based on 1H-pyrazole-3-carboxylic Acid Ligand
摘要:
A novel Cd(Ⅱ) coordination polymer, [CdCl(Hpc)H2O]n (1, H2pc=1H-pyrazole-3-carboxylic acid), was synthesized by the reaction of CdCl2·2.5H2O with H2pc, and structurally characterized by IR spectrum, UV-Vis spectrum, elemental analysis, single-crystal X-ray diffraction, as well as thermal analysis. Compound 1 crystallizes in monoclinic, P21/n space group with a=7.0304(3), b=10.3047(3), c=10.6446(4)Å, β=107.174(4)°, V=736.78(5)Å3, Z=4, C4H5CdClN2O3, Mr=276.95, Dc=2.497 g/cm3, F(000)=528.0, μ=3.281 mm-1, R=0.0169 and wR=0.0387. The central metals adopt distorted octahedral geometry. Carboxyl groups of the ligand connect Cd(Ⅱ) into a one-dimensional chain, which further constructs a two-dimensional network by halogen bridging. Such two-dimensional structures are finally connected into a three-dimensional supramolecular architecture due to the hydrogen bonds and intermolecular π-π interactions. In addition, complex 1 has high thermal stability.
English
Synthesis, Crystal Structure and Thermal Stability of a New Cadmium(Ⅱ) Polymer Based on 1H-pyrazole-3-carboxylic Acid Ligand
Abstract:
A novel Cd(Ⅱ) coordination polymer, [CdCl(Hpc)H2O]n (1, H2pc=1H-pyrazole-3-carboxylic acid), was synthesized by the reaction of CdCl2·2.5H2O with H2pc, and structurally characterized by IR spectrum, UV-Vis spectrum, elemental analysis, single-crystal X-ray diffraction, as well as thermal analysis. Compound 1 crystallizes in monoclinic, P21/n space group with a=7.0304(3), b=10.3047(3), c=10.6446(4)Å, β=107.174(4)°, V=736.78(5)Å3, Z=4, C4H5CdClN2O3, Mr=276.95, Dc=2.497 g/cm3, F(000)=528.0, μ=3.281 mm-1, R=0.0169 and wR=0.0387. The central metals adopt distorted octahedral geometry. Carboxyl groups of the ligand connect Cd(Ⅱ) into a one-dimensional chain, which further constructs a two-dimensional network by halogen bridging. Such two-dimensional structures are finally connected into a three-dimensional supramolecular architecture due to the hydrogen bonds and intermolecular π-π interactions. In addition, complex 1 has high thermal stability.
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