(H_3O)_2[Co(C_2N_2H_8)_3]_2[W_7O_(24)]结构和振动光谱的实验和理论研究  

Experimental and Theoretical Study on the Structure and Infrared Spectrum of [Co(C_2N_2H_8)_3]_3W_7O_(24)

作　　者：苏忠民[1] 慈成刚[1,2] 何丹凤[2] 靳忠欣 刘洪胜[2] 

机构地区：[1]东北师范大学化学学院,吉林长春130024 [2]大庆师范学院化学化工学院,黑龙江大庆163712

出　　处：《大庆师范学院学报》2014年第3期38-41,共4页Journal of Daqing Normal University

基　　金：国家自然科学基金(21171030);黑龙江省自然科学基金(B201012);大庆师范学院博士启动基金(11ZR01;09ZB01);黑龙江省青年学术骨干支持计划(1253G005)

摘　　要：采用水热法合成了新化合物(H3O)2[Co(C2N2H8)3]2[W7O24],对其结构进行了红外光谱和X射线单晶衍射测定。通过密度泛函理论,对其红外光谱进行了计算,对吸收峰的振动模式进行了指认。结果显示,(H3O)2[Co(C2N2H8)3]2[W7O24]的红外光谱对溶剂十分敏感。A new （H3O）2[Co（C2N2H8）3]2[W7O24]compound, has been synthesized by means of hydrothermal method, and structurally characterized by infrared spectroscopy and singlecrystal X-ray diffraction.The infrared vibrational spectrum was calculated by Density Functional Theory, the types of vibrational frequencies were assigned, and shown that the sensitivity to the solvent.

关 键 词：ANDERSON结构 红外光谱 密度泛函理论 

分 类 号：O64[理学—物理化学]