高压下D,L-扁桃酸结构相变的拉曼光谱研究

doi:10.7503/cjcu20140417

高等学校化学学报 ›› 2015, Vol. 36 ›› Issue (2): 381.doi: 10.7503/cjcu20140417

高压下D,L-扁桃酸结构相变的拉曼光谱研究

王凯¹, 王庆磊¹, 颜婷婷¹, 林奥雷²()

1. 吉林大学超硬材料国家重点实验室, 2. 先进技术研究院, 长春 130012

收稿日期:2014-05-04 出版日期:2015-02-10 发布日期:2015-01-22
作者简介:联系人简介: 林奥雷, 男, 博士, 副研究员, 主要从事高压物理与纳米材料研究. E-mail: linal@jlu.edu.cn
基金资助:
基金项目: 国家自然科学基金(批准号: 11204101)、中国博士后科学基金(批准号: 2012M511327)和吉林大学研究生创新基金(批准号: 2014087)资助

Raman Spectroscopic Study on High Pressure-induced Phase Transition of D,L-Mandelic^†

WANG Kai¹, WANG Qinglei¹, YAN Tingting¹, LIN Aolei^2,^*()

1. State Key Laboratory of Superhard MaterialsChina
2. Institute of Advanced Technology, Jilin University, Changchun 130012, China

Received:2014-05-04 Online:2015-02-10 Published:2015-01-22
Contact: LIN Aolei E-mail:linal@jlu.edu.cn
Supported by:
Supported by the National Natural Science Foundation of China(No.11204101), the Postdoctoral Science Foundation of China(No.2012M511327) and the Graduate Innovation Fund of Jilin University, China(No 2014087)

摘要/Abstract

摘要：

采用金刚石对顶砧高压装置, 在室温下对D,L-扁桃酸(C₈H₈O₃)进行了原位高压拉曼光谱研究, 实验最高压力为2.2 GPa. 结果表明, 原来的一些拉曼峰在0.6 GPa左右突然消失或者劈裂, 并同时出现了一些新的拉曼峰. 通过进一步分析D,L-扁桃酸的拉曼频率随压力的变化, 发现许多拉曼峰的移动在0.6 GPa时都出现了拐点. D,L-扁桃酸在0.6 GPa发生了由正交相(Pbca)到单斜相(P2₁/c)的压致结构相变. 通过分析相变前后晶体结构及拉曼振动模式的变化, 认为此压致结构相变是由高压下分子的密堆积效应和氢键结构的重新排列导致. 完全卸压至常压后, 卸压拉曼光谱与常压拉曼光谱一致, 表明此压致相变可逆.

关键词: D,L-扁桃酸, 金刚石对顶砧, 拉曼光谱, 高压, 相变

Abstract:

In situ Raman spectra of D,L-mandelic acid were characterized under high pressure generated by diamond anvil cell at room temperature. The pressure was up to 2.2 GPa. Around 0.6 GPa, some original Raman peaks disappear or split, and some new Raman peaks emerge. Within the experimental pressure range, the curve of Raman frequence-pressure presented inflexions at 0.6 GPa, indicating a phase transition from Pbca to P2₁/c for D,L-mandelic acid has occurred at this pressure. On total release of pressure, the Raman spectra returns to its initial state, implying this transition is reversible.

Key words: D, L-Mandelic acid, Diamond anvil cell, Raman spectrum, High pressure, Phase transition

中图分类号:

TrendMD:

王凯, 王庆磊, 颜婷婷, 林奥雷. 高压下D,L-扁桃酸结构相变的拉曼光谱研究. 高等学校化学学报, 2015, 36(2): 381.

WANG Kai, WANG Qinglei, YAN Tingting, LIN Aolei. Raman Spectroscopic Study on High Pressure-induced Phase Transition of D,L-Mandelic^†. Chem. J. Chinese Universities, 2015, 36(2): 381.

图/表 4

Fig.1 Low frequency Raman spectra(A) and Raman shifts(B) of D,L-mandelic recorded at different pressuresThe arrows denote the appearing of new peaks, the vertical dashed line represents the boundary of the two phases.

Fig.2 Raman spectra(A) and Raman shifts(B) of D,L-Mandelic between 200 and 900 cm-1 recorded at different pressuresThe up-arrows denote the appearing of new peaks, the vertical dashed line represents the boundary of the two phases.

Fig.3 Raman spectra(A, B) and Raman shifts(C) of D,L-Mandelic between 1650 and 3500 cm-1 recorded at different pressures The star denotes the splitting of original peaks, the arrow denotes the appearing of new peaks, and the vertical dashed line represents the boundary of the two phases.

Fig.4 Crystal structures and molecular arrangements of D,L-mandelic at ambient pressure(A) and high pressure(B), respectively The blue dotted lines represent the intermolecular hydrogen bonds.

参考文献 21

[1]	Hernandez E., Mas M., Molins E., Rovira C., Veciana J., Angew. Chem. Int. Ed., 1993, 32(6), 882—884
[2]	Schwoerer M., Wolf H.C., Organic Molecular Solids, Wiley, Berlin, 2008, 1—24
[3]	Wang R., Li S. R., Wang K., Duan D. F., Tang L., Cui T., Liu B. B., Cui Q. L., Liu J., Zou B., Zou G. T., J. Phys. Chem. B, 2010, 114(20), 6765—6769
[4]	Edgar S., Organic Molecular Crystals, Springer, Berlin, 1980, 1—46
[5]	Thomas S., Angew. Chem. Int. Ed., 2002, 41(1), 49—76
[6]	Sikka S. K., Shamma S. M., Phase Transit., 2008, 81(10), 907—934
[7]	Boldyreva E. V., J. Mol. Struct., 2004, 700(1—3), 151—155
[8]	Yan T. T., Li S. R., Wang K., Tan X., Jiang Z. M., Yang K., Liu B. B., Zou G. T., Zou B., J. Phys. Chem. B, 2012, 116(32), 9796—9802
[9]	Boldyreva E. V., Shakhtshbeider T. P., Ahsbahs H., Sowa H., Uchtmann H., J. Therm. Anal. Calorim., 2002, 68(2), 437—452
[10]	Peng B. Y., Xu S. D., Chi Z. G., Zhang X. Q., Zhang Y., Xu J. R., Progress in Chemistry, 2013, 25(11), 1805—1820
	(彭邦银, 许适当, 池振国, 张锡奇, 张艺, 许家瑞. 化学进展, 2013, 25(11), 1805—1820)
[11]	Wang K., Duan D. F., Wang R., Tang L., Cui T., Liu B. B., Cui Q. L., Liu J., Zou B., Zou G. T., J. Phys. Chem. B, 2009, 113(44), 14719—14724
[12]	Tan X., Wang K., Li S. R., Yuan H. S., Yan T. T., Liu J., Yang K., Liu B. B., Zou G. T., Zou B., J. Phys. Chem. B, 2012, 116(49), 14441—14450
[13]	Rietveld I. B., Barrio M., Tamarit J. L., Do B., Ceolin R., J. Phys. Chem. B, 2011, 115(49), 14698—14703
[14]	Cai W. Z., Marciniak J., Andrzejewski M., Katrusiak A., J. Phys. Chem. C, 2013, 117(14), 7279—7285
[15]	Marciniak J., Andrzejewski M., Cai W. Z., Katrusiak A., J. Phys. Chem. C, 2014, 118(8), 4309—4313
[16]	Mao H. K., Bell P. M., Shaner J. W., Steninberg D. J., J. Appl. Phys., 1978, 49(3276), 3276—3283
[17]	Goncharov A. F., Growhurst J. C., J. Low. Temp. Phys., 2005, 139(5/6), 727—737
[18]	Lin A. L., Wang K., Zhao Y., Zou B., Chem. J. Chinese Universities, 2008, 29(6), 1181—1184
	(林奥雷, 王凯, 赵宇, 邹勃. 高等学校化学学报, 2008, 29(6), 1181—1184)
[19]	Zhou J., Li L., Huang F. X., Shen H. Z., Yang H., Zhou Q., Wang W. Q., Xu D. P., Chem. J. Chinese Universities, 2013, 34(10), 2383—2388
	(周静, 李亮, 黄凤仙, 沈宏志, 杨航, 周强, 王文全, 许大鹏. 高等学校化学学报, 2013, 34(10), 2383—2388)
[20]	Badawi H. M., Forner W., Spectrochim Acta A, Mol. Biomol. Spectrosc., 2011, 78(3), 1162—1167
[21]	Clark S. J., Segall M. D., Pickard C. J., Hasnip P. J., Probert M. J., Refson K., Payne M. C., Theory of Condensed Matter, 2005, 220(5/6), 567—570
	(Ed.: S, Z, M)

高压下D,L-扁桃酸结构相变的拉曼光谱研究

Raman Spectroscopic Study on High Pressure-induced Phase Transition of D,L-Mandelic^†

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高压下D,L-扁桃酸结构相变的拉曼光谱研究

Raman Spectroscopic Study on High Pressure-induced Phase Transition of D,L-Mandelic†

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Raman Spectroscopic Study on High Pressure-induced Phase Transition of D,L-Mandelic^†