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;刘景
刊名JOURNAL OF PHYSICAL CHEMISTRY B
2012
卷号116期号:49页码:14441-14450
学科分类Chemistry
DOI10.1021/jp3039219
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.
收录类别SCI
WOS记录号WOS:000312176000026
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被引频次:18[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.ihep.ac.cn/handle/311005/224347
专题中国科学院高能物理研究所_多学科研究中心_期刊论文
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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):14441-14450.
APA Tan, X.,Wang, K.,Li, SR.,Yuan, HS.,Yan, TT.,...&Zou, B;刘景.(2012).Exploration of the Pyrazinamide Polymorphism at High Pressure.JOURNAL OF PHYSICAL CHEMISTRY B,116(49),14441-14450.
MLA Tan, X,et al."Exploration of the Pyrazinamide Polymorphism at High Pressure".JOURNAL OF PHYSICAL CHEMISTRY B 116.49(2012):14441-14450.
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