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题名: Study of the molecular configuration and the dipole moment in fluorinated liquid crystals
作者: Liu, YF;  Ma, H;  Xu, HJ;  Sun, JF;  Han, KL
通讯作者: 刘玉芳
关键词: fluorinated liquid crystals ;  molecular configuration ;  dipole moment ;  polarizability
刊名: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
发表日期: 2005-04-15
DOI: 10.1002/qua.20392
卷: 102, 期:4, 页:415-421
收录类别: SCI
文章类型: Article
部门归属: 11
项目归属: 1101
产权排名: 3;1
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Mathematics, Interdisciplinary Applications ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Mathematics ;  Physics
英文摘要: We have investigated the relationship between the molecular configuration and dipole moment of some fluorinated liquid crystals (LCs). The aeornetries of the molecules were preliminarily optimized at empirical AM1 and then were further optimized at B3LYP/6-31G(d) level. The dipole moment has been calculated. It is strongly influenced by the position and number of fluorine substituents in the benzene ring of the molecule. The polarizability, mean polarizabilities, and anisotropic polarizability of the phenylbicyclohexane (PBC) fluorine substituents are also given and discussed. (c) 2004 Wiley Periodicals, Inc.
关键词[WOS]: TEMPERATURE-DEPENDENCE ;  PHYSICAL CONSTANTS ;  DENSITY ;  VOLTAGE ;  CORE
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000227975400007
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/93441
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Henan Normal Univ, Dept Phys, Xinxiang 453002, Peoples R China
2.Toyama Univ, Fac Engn, Toyama 9308555, Japan
3.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

Recommended Citation:
Liu, YF,Ma, H,Xu, HJ,et al. Study of the molecular configuration and the dipole moment in fluorinated liquid crystals[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,2005,102(4):415-421.
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