Structural Properties and Halogen Bonds of Cyanuric Chloride under High Pressure
Wang, K; Duan, DF; Zhou, M; Li, SR; Cui, T; Liu, BB; Liu, J; Zou, B; Zou, GT; Liu J(刘景)
刊名JOURNAL OF PHYSICAL CHEMISTRY B
2011
卷号115期号:16页码:4639-4644
学科分类Chemistry
DOI10.1021/jp200966n
通讯作者[Wang, Kai ; Duan, Defang ; Zhou, Mi ; Li, Shourui ; Cui, Tian ; Liu, Bingbing ; Zou, Bo ; Zou, Guangtian] Jilin Univ, State Key Lab Superhard Mat, Changchun 130012, Peoples R China ; [Zhou, Mi] Jilin Univ, Coll Phys, Changchun 130012, Peoples R China ; [Li, Shourui] Jilin Univ, Inst Atom & Mol Phys, Changchun 130012, Peoples R China ; [Liu, Jing] Chinese Acad Sci, Inst High Energy Phys, Beijing Synchrotron Radiat Lab, Beijing 100039, Peoples R China
文章类型Article
英文摘要The effects of high pressure on cyanuric chloride (C3N3Cl3), a remarkable crystal structure dominated by halogen bonds, have been studied by synchrotron X-ray diffraction and Raman spectroscopy in a diamond anvil cell. The results of high pressure experiments revealed that there was no obvious phase transition up to 30 GPa, indicating that halogen bonding is an effective noncovalent interaction to stabilize the crystal structure. Moreover, cyanuric chloride exhibited a high compressibility and a strong anisotropic compression, which can be explained by the layered crystal packing. Ab initio calculations were also performed to account for the high pressure Raman spectra and the high pressure behavior of halogen bonding.
类目[WOS]Chemistry, Physical
研究领域[WOS]Chemistry
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语种英语
WOS记录号WOS:000289697300010
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被引频次:16[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/311005/239991
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
作者单位中国科学院高能物理研究所
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Wang, K,Duan, DF,Zhou, M,et al. Structural Properties and Halogen Bonds of Cyanuric Chloride under High Pressure[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2011,115(16):4639-4644.
APA Wang, K.,Duan, DF.,Zhou, M.,Li, SR.,Cui, T.,...&刘景.(2011).Structural Properties and Halogen Bonds of Cyanuric Chloride under High Pressure.JOURNAL OF PHYSICAL CHEMISTRY B,115(16),4639-4644.
MLA Wang, K,et al."Structural Properties and Halogen Bonds of Cyanuric Chloride under High Pressure".JOURNAL OF PHYSICAL CHEMISTRY B 115.16(2011):4639-4644.
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