In situ investigation of BaBPO5 crystal growth mechanism by high-temperature Raman spectroscopy

IF 4.7 2区 化学 Q2 CHEMISTRY, PHYSICAL Journal of Molecular Structure Pub Date : 2017-06-15 Epub Date: 2017-01-31 DOI:10.1016/j.molstruc.2017.01.029
Ji Zhang , Di Wang , Deming Zhang , Qingli Zhang , Dunlu Sun , Shaotang Yin
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引用次数: 2

Abstract

High-temperature Raman spectroscopy has been applied to investigate in situ the solution structure near the BaBPO5 crystal-solution interface. The experimental results show that [P2O7] and [BO4] are the basic structural units in BaBPO5-Li4P2O7 high temperature solution, and [BPO7] is the main growth unit of BaBPO5 crystal. In the crystal growth boundary layer, the [P2O7] and [BO4] units are transformed into [BPO7] unit. BaBPO5 crystal growth process is considered as a connection process of growth unit [BPO7] along c axis direction. According to the mechanism, the growth habits of BaBPO5 crystal can be predicted.

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高温拉曼光谱原位研究BaBPO5晶体生长机理
利用高温拉曼光谱原位研究了BaBPO5晶体-溶液界面附近的溶液结构。实验结果表明,[P2O7]和[BO4]是BaBPO5- li4p2o7高温溶液中的基本结构单元,[BPO7]是BaBPO5晶体的主要生长单元。在晶体生长边界层中,[P2O7]和[BO4]单元转化为[BPO7]单元。将BaBPO5晶体生长过程视为生长单元[BPO7]沿c轴方向的连接过程。根据这一机制,可以预测BaBPO5晶体的生长习性。
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来源期刊
Journal of Molecular Structure
Journal of Molecular Structure 化学-物理化学
CiteScore
7.10
自引率
15.80%
发文量
2384
审稿时长
45 days
期刊介绍: The Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information on all types of chemical species including: • Stable and unstable molecules in all types of environments (vapour, molecular beam, liquid, solution, liquid crystal, solid state, matrix-isolated, surface-absorbed etc.) • Chemical intermediates • Molecules in excited states • Biological molecules • Polymers. The methods used may include any combination of spectroscopic and non-spectroscopic techniques, for example: • Infrared spectroscopy (mid, far, near) • Raman spectroscopy and non-linear Raman methods (CARS, etc.) • Electronic absorption spectroscopy • Optical rotatory dispersion and circular dichroism • Fluorescence and phosphorescence techniques • Electron spectroscopies (PES, XPS), EXAFS, etc. • Microwave spectroscopy • Electron diffraction • NMR and ESR spectroscopies • Mössbauer spectroscopy • X-ray crystallography • Charge Density Analyses • Computational Studies (supplementing experimental methods) We encourage publications combining theoretical and experimental approaches. The structural insights gained by the studies should be correlated with the properties, activity and/ or reactivity of the molecule under investigation and the relevance of this molecule and its implications should be discussed.
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