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铝硅酸盐Raman活性分子振动解析
引用本文:潘峰,喻学惠,莫宣学,尤静林,王晨,陈辉,蒋国昌.铝硅酸盐Raman活性分子振动解析[J].光谱学与光谱分析,2006,26(10):1871-1875.
作者姓名:潘峰  喻学惠  莫宣学  尤静林  王晨  陈辉  蒋国昌
作者单位:1. 中国地质大学,北京,100083;北京服装学院,北京,100029
2. 中国地质大学,北京,100083
3. 上海大学上海现代冶金与材料制备重点实验室,上海,200072
摘    要:分别测定了蓝晶石、红柱石和硅线石三种铝硅酸盐天然矿物晶体以及K2O-Al2O3-SiO2三元铝硅酸盐玻璃的Raman光谱.构建了一组硅铝四面体聚集体结构模型,采用量子化学自洽场分子轨道从头计算的方法计算了其Raman振动频率.分析研究了上述Raman光谱振动特征,确定了特征谱峰的归属,解析了铝对铝硅酸盐Raman活性分子振动特征的影响.结果表明,随四配位铝的增加,导致800~1 200 cm-1波数区间内谱峰频率降低,该区间的谱峰是Si-Onb间非桥氧对称伸缩振动引起的,其中不含Al-O振动;700~800cm-1区间内出现的谱峰归属于Al-Onb间非桥氧的对称伸缩振动.

关 键 词:铝硅酸盐Raman光谱  矿物晶体  K2O-Al2O3-SiO3玻璃  结构模型
文章编号:1000-0593(2006)10-1871-05
收稿时间:2005-09-28
修稿时间:2005-12-18

Raman Active Vibrations of Aluminosilicates
PAN Feng,YU Xue-hui,MO Xuan-xue,YOU Jing-lin,WANG Chen,CHEN Hui,JIANG Guo-chang.Raman Active Vibrations of Aluminosilicates[J].Spectroscopy and Spectral Analysis,2006,26(10):1871-1875.
Authors:PAN Feng  YU Xue-hui  MO Xuan-xue  YOU Jing-lin  WANG Chen  CHEN Hui  JIANG Guo-chang
Institution:1. China University of Geosciences, Beijing 100083, China; 2. Shanghai University, Shanghai 200072, China; 3. Institute of Clothing Technology, Beijing 100029, China
Abstract:Raman spectra of aluminosilicate minerals, namely kyanite, andalusite, and sillimanite and K2O-Al2O3-SiO2 glasses were recorded. Four alumino-silicon tetrahedral model clusters were calculated by self-consistent (SCF) molecular orbital ab-ini-tio calculation of the quantum chem (QC) method. The result shows a decrease tendency in Raman frequencies in the 800-1200 cm(-1) frequency region with increase in four-coordinated Al content, which is assigned to the Si--Onb symmetry stretching vibrations. The Raman spectra in the 700-800 cm(-1) frequency region is attributed to Al-Onb symmetry stretching vibrations.
Keywords:Aluminosilicate  Rarnan spectra  Minerals  K2O-Al2O3-SiO2 glasses  Model clusters
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