Exploration of the Pyrazinamide Polymorphism at High Pressure

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	Exploration of the Pyrazinamide Polymorphism at High Pressure
	Tan, X ; Wang, K ; Li, SR ; Yuan, HS ; Yan, TT ; Liu, J ; Yang, K ; Liu, BB ; Zou, GT ; Zou, B
刊名	JOURNAL OF PHYSICAL CHEMISTRY B
	2012
卷号	116 期号:49
ISSN号	1520-6106
英文摘要	We report the high-pressure response of three forms (alpha, delta, and gamma) of pyrazinamide (C5H5N3O, PZA) by in situ Raman spectroscopy and synchrotron X-ray diffraction techniques with a pressure of about 14 GPa. These different forms are characterized by various intermolecular bonding schemes. High-pressure experimental results show that the gamma phase undergoes phase transition to the beta phase at a pressure of about 4 GPa, whereas the other two forms retain their original structures at a high pressure. We propose that the stabilities of the alpha and delta forms upon compression are due to the special dimer connection that these forms possess. On the other hand, the gamma form, which does not have this connection, prefers to transform to the closely related beta form when pressure is applied. The detailed mechanism of the phase transition together with the stability of the three polymorphs is discussed by taking molecular stacking into account.
语种	英语
WOS记录号	WOS:000312176000026
公开日期	2013-12-05
内容类型	期刊论文
源URL	[http://ir.sinap.ac.cn/handle/331007/13159]
专题	上海应用物理研究所_中科院上海应用物理研究所2011-2017年
推荐引用方式 GB/T 7714	Tan, X,Wang, K,Li, SR,et al. Exploration of the Pyrazinamide Polymorphism at High Pressure[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2012,116(49).
APA	Tan, X.,Wang, K.,Li, SR.,Yuan, HS.,Yan, TT.,...&Zou, B.(2012).Exploration of the Pyrazinamide Polymorphism at High Pressure.JOURNAL OF PHYSICAL CHEMISTRY B,116(49).
MLA	Tan, X,et al."Exploration of the Pyrazinamide Polymorphism at High Pressure".JOURNAL OF PHYSICAL CHEMISTRY B 116.49(2012).