磁几何阻挫材料天然绿盐铜矿的中红外和拉曼光谱分析  

Mid-Infrared and Raman Spectral Analysis of Geometrically Frustrated Natural Atacamite

作　　者：陶万军[1] 刘晓东[1] 郑旭光[2] 孟冬冬[1] 郭其新[3] 

机构地区：[1]天津工业大学理学院物理系,天津300160 [2]佐贺大学理工学部物理科学科 [3]佐贺大学理工学部电子与电气工程科和同步辐射光应用研究中心

出　　处：《光谱学与光谱分析》2011年第9期2431-2436,共6页Spectroscopy and Spectral Analysis

摘　　要：在室温情况下,利用FTIR光谱仪测得了天然磁几何阻挫材料绿盐铜矿(Atacamite,β-Cu2(OH)3Cl)的中红外光谱4 000～400 cm-1,同时还通过激光显微拉曼光谱仪获得了它的拉曼光谱4 000～95 cm-1。结合它的晶体结构参数,确认了官能团区4 000～2 500～1 000 cm-1和指纹区1 000～550～200～95 cm-1的特征峰以及探索它的微观起源。将五个不同的区域分别指认为:取决于羟基整体环境3Cu≡O—H…Cl的羟基伸缩振动νO—H4 000～2 500 cm-1;由羟基弯曲振动模式基频所产生的泛频(合频或倍频)2 500～1 000 cm-1;由δCu—O—H和δO—H…Cl组合的羟基弯曲振动模式δO—H1 000～550 cm-1;较强的键平面CuO4单元振动模式550～200 cm-1;以及较弱的键线性三原子链Cl—Cu—O/Cl振动模式200～95 cm-1。谱带指认时紧密结合晶体的结构参数,从而较为合理建立了其分子结构和光谱特性之间的关系。At room temperature, the mid-infrared spectra of geometrically frustrated natural atacamite （hydroxyl copper chloride, β-Cu2 （OH）3CI） in the range of 4 000~400 cm-1 were measured by FTIR spectrometers, and meanwhile its Raman spectrum in the range of 4 000~95 cm 1 was obtained by Jobin Yvon LabRAM HRS00 Raman spectrometer. According to its crystal structure parameters, the authors confirmed the characteristic peaks of sample 4 000~2 500~1 000 cm^-1 in the function- al group region and 1 000~550~200~95 cm ^-1 in the fingerprint region, and also explored its microscopic origin. Five distinct regions were assigned： the hydroxyl stretching vibration vO-H determined by the overall environment around the hydroxyl group; the overtones generated by the sum or multiplication of fundamental frequencies of hydroxyl bending vibration; the hydroxyl bending vibration modes δO-H of the combination of δO-H and δO-H…Cl the vibration modes of strongly bonded planar CuO4 units; the vibration modes of weakly bonded linear-triatomic chain Cl--Cu--O/Cl. The bands were assigned in accordance with its crystal structure parameters, which is more reasonable to establish the relationship between its molecular structure and its respective spectral properties.

关 键 词：绿盐铜矿 几何阻挫 振动模式 

分 类 号：O657.3[理学—分析化学]