Cs(ATZ)的制备、晶体结构与热力学性质

以5-氨基四唑(ATZ)和氢氧化铯溶液为原料,制备了配合物Cs(ATZ)并培养出单晶,结构由X-ray单晶衍射测定.晶体属正交晶系,空间群Pnma,晶体学参数:a=0.8114(4)nm,b=0.6907(4)nm,c=0.9122(5)nm,V=0.5113(5)nm3,Dc=2.819g/cm3,Z=4,F(000)=392,μ=7.112mm-1,R=0.0485.其中Cs+与9个氮原子配位,分子间通过氢键、金属离子与N原子的桥连接及分子间作用力,形成三维结构,增加了晶体结构的稳定性.同时,用红外、拉曼光谱对配合物进行了表征.根据测得的ATZ及Cs(ATZ)在氢氧化铯溶液中的反应焓和溶解焓,算得配合物Cs(ATZ)标准摩尔生成焓为(-430.56±0.43)kJ·mol-1.

Cs(ATZ)化合物的合成及表征

A new compound of Cs(ATZ) was synthesized by reaction of CsOH aqueous solution with 5-aminotetrezole. This compound was identified by C, H and N elemental analysis and quantitative analysis of Cs atom. The molecular formula is Cs(ATZ). The physicochemical properties were characterized by FT-IR, Raman spectroscopy and X-ray power diffraction and the peaks of FT-IR were also assigned.