Cs(NTO)·H_2O的结构和水溶液中的FT-IR和Raman光谱  

The Structure of Cs(NTO)·H_2O and it's FT-IR and Raman Spectra in water

作　　者：夏树屏[1] 高世扬[1] 胡满成[2] 

机构地区：[1]中国科学院盐湖研究所,西安710043 [2]陕西师范大学化学与材料科学学院,西安710062

出　　处：《复旦学报（自然科学版）》2003年第6期851-855,共5页Journal of Fudan University：Natural Science

基　　金：教育部科技研究重点基金资助项目(99111);国家自然科学基金资助项目(20271051)

摘　　要：用Raman和FT IR光谱实验技术对Cs(NTO)·H2O配合物水溶液的振动光谱进行了研究,从单晶结构角度说明了配合体的原子与Cs离子之间的配合键;量子化学计算结果表明配合键的性质主要属于静电吸引作用.该配合物饱和水溶液与晶体的振动光谱峰吻合.证明水溶液中的振动光谱可以用晶体中键的形成来说明光谱峰归属.With Raman and FT-IR technology the vibration spectra of Cs(NTO)·H_2O in water solution have been studied. The coordination bond between Cs ion and coordination atoms are interpreted with the determination result of single crystal structure. The result of quantum chemistry calculation shows that the bonds are electrostatic action. The vibration spectra of its saturation solution is in accord with the one of its crystal. The assignment of vibration spectra of the saturation water solution of Cs(NTO)·H_2O can be explicated by the bond formation in crystal.

关 键 词：Cs(NTO)·H2O 晶体结构 FT-IR RAMAN光谱 炸药 配合键 

分 类 号：O614.115[理学—无机化学] O76[理学—化学]