光谱学与光谱分析, 2011, 31 (9): 2431, 网络出版: 2011-11-09
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
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—H 1 000~550 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。
Abstract
At room temperature, the mid-infrared spectra of geometrically frustrated natural atacamite (hydroxyl copper chloride, β-Cu2(OH)3Cl) 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 HR800 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 functional 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 νO—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 δCu—O—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.
陶万军, 刘晓东, 郑旭光, 孟冬冬, 郭其新. 磁几何阻挫材料天然绿盐铜矿的中红外和拉曼光谱分析[J]. 光谱学与光谱分析, 2011, 31(9): 2431. TAO Wan-jun, LIU Xiao-dong, ZHENG Xu-guang, MENG Dong-dong, GUO Qi-xin. Mid-Infrared and Raman Spectral Analysis of Geometrically Frustrated Natural Atacamite[J]. Spectroscopy and Spectral Analysis, 2011, 31(9): 2431.