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夹心型铋(Ⅲ)钨酸盐Na_(10){[(M(H_2O)_3)_2(WO_2)_2-(BiW_9O_(33))_2]}·xH_2O的合成、结构及量子化学计算 被引量:2

Synthesis,crystal structures and quantum chemistry calculation of Na_(10){[(M(H_2O)_3)_2(WO_2)_2(BiW_9O_(33))_2]}·xH_2O constructed from the sandwich-type polyoxoanion of bismuth
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摘要 在常规条件下合成了标题化合物,并通过X-射线单晶结构分析、元素分析、红外光谱对晶体进行表征。结果表明,化合物属于单斜晶系,空间群P2(1)/n。对化合物进行了量子化学计算,用于说明其结构特征。 Three one-dimensional(1D) chain-like heteropolyoxotungstates Na10{[(M(H2O)3)2(WO2)2-(BiW9O33)2]}·xH2O(M=MnⅡ,CoⅡ,NiⅡ) were obtained in aqueous solution and were characterized by IR,elemental analysis and single-crystal X-ray analysis.Analytical data identified that the crystals of said complexes belonged to a monoclinic system with a space group of P2(1)/n.Finally,quantum chemistry calculations of complexes were performed to explain the structure characteristics.
出处 《化学试剂》 CAS CSCD 北大核心 2010年第10期917-920,927,共5页 Chemical Reagents
基金 广西省自然科学基金资助项目(0832280)
关键词 多金属氧酸盐 晶体结构 量子化学 polyoxometalate bismuth crystal structure quantum chemistry
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  • 1李铭岫,高元哲.多酸阴离子的光致变色现象[J].化学世界,2004,45(7):384-388. 被引量:3
  • 2魏文珑,成斌,常宏宏,王利珍,李彦威.对氯苯异氰酸酯的合成[J].应用化工,2005,34(4):224-225. 被引量:11
  • 3王永净,张汉辉,黄长沧,陈义平,孙瑞卿.两种含铋的杂多化合物的光谱研究[J].光谱学与光谱分析,2006,26(2):287-290. 被引量:7
  • 4苏为科,李永曙,蔡鸿飞.异氰酸芳酯的化学合成方法:中国,CN02130077.1[P].2002-8-13.
  • 5BRAVERMAN S, CHERKINSKY M, KEDROVA I, et al. A novel synthesis of isocyanates and ureas via/3-elimina- tion of haloform [ J ]. Tetrahedron Lett., 1999,40 ( 18 ) : 3 235-3 238.
  • 6FRISCH M J,TRUCKS G W,SCHLEGEL H B,et al. Gaussian 03, Revision C. 02, Gaussian, Inc. [ CP ]. Wallingford CT,2004.
  • 7SUN Hui, ZHANG Dong-ju. Density functional theory study on the cycloaddition of carbon dioxide with pro- pylene oxide catalyzed by alkylmethylimidazolium chlo- rine ionic liquids[ J]. J. Phys. Chem. A ,2007,111 ( 8 ) : 8 036-8 043.
  • 8SUN Hui,ZHANG Dong-ju, MA Chen, et al. Theoretical study on the Diels-Alder reaction of cyclopentadiene with methacrolein catalyzed by diethylimidazolium cat- ion[J]. Int. J. Quantum Chem. ,2007,107(9) :1 875- 1 885.
  • 9SUN Hui, ZHANG Dong-ju, WANG Fang, et al. Theoret- ical study of the mechanism for the markovnikov addi- tion of imidazole to vinyl acetate catalyzed by the ionic liquid [ Bmim] OH [ J]. J. Phys. Chem. A, 2007,111 (20) :4 535-4 541.
  • 10FRISCH M J,PLPLE J A,BINKLEY J S. Self-consistent molecular orbital methods 25. supplementary functions for Gaussian basis sets [ J ]. J. Chem. Phys. , 1984,80 (7) : 3 265-3 269.

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