(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)

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.