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首页> 外文期刊>Spectrochimica acta, Part A. Molecular and biomolecular spectroscopy >Temperature dependent polarized Raman spectra of nonaaqualanthanoid (Pr) single crystal
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Temperature dependent polarized Raman spectra of nonaaqualanthanoid (Pr) single crystal

机译：非对映体类花色素（Pr）单晶的温度依赖性极化拉曼光谱

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摘要

Polarized Raman spectral changes with respect to temperature were investigated for Pr(BrO3)(3)center dot 9H(2)O single crystals. FTIR spectra of hydrated and deuterated analogues were also recorded and analysed. Temperature dependent Raman spectral variation have been explained with the help of the thermograms recorded for the crystal. Factor group analysis could propose the appearance of BrO3 ions at sites corresponding to C-3v (4) and D-3h (2). Analysis of the vibrational bands at room temperature confirms a distorted C3v symmetry for the BrO3 ion in the crystal. From the vibrations of water molecules, hydrogen bonds of varying strengths have also been identified in the crystal. The appearance v(1) mode of BrO3- anion at lower wavenumber region is attributed to the attachment of hydrogen atoms to the BrO3 anion. At high temperatures, structural rearrangement is taking place for both H2O molecule and BrO3 ions leading to the loss of water molecules and structural reorientation of bromate ions causing phase transition of the crystal at the temperature of 447 K. (c) 2005 Elsevier B.V. All rights reserved.
机译：研究了Pr（BrO3）（3）中心点9H（2）O单晶相对于温度的偏振拉曼光谱变化。还记录和分析了水合和氘代类似物的FTIR光谱。依赖于温度的拉曼光谱变化已借助为晶体记录的热分析图进行了解释。因子组分析可以建议在对应于C-3v（4）和D-3h（2）的位点出现BrO3离子。室温下的振动带分析证实了晶体中BrO3离子的扭曲C3v对称性。从水分子的振动中，晶体中还发现了强度不同的氢键。 BrO3-阴离子在较低波数区域的出现v（1）模式归因于氢原子与BrO3阴离子的附着。在高温下，H2O分子和BrO3离子均发生结构重排，导致水分子损失，溴酸根离子的结构重新定向，导致晶体在447 K的温度下发生相变。（c）2005 Elsevier BV版权所有保留。

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