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学科主题: 物理化学
题名: Mapping Molecular Conformations with Multiple-Mode Two-Dimensional Infrared Spectroscopy
作者: Bian, Hongtao1;  Li, Jiebo1;  Wen, Xiewen1;  Sun, Zhigang2;  Song, Jian2;  Zhuang, Wei2;  Zheng, Junrong1
通讯作者: 郑俊荣
刊名: JOURNAL OF PHYSICAL CHEMISTRY A
发表日期: 2011-04-21
DOI: 10.1021/jp200516P
卷: 115, 期:15, 页:3357-3365
收录类别: SCI
文章类型: Article
部门归属: 11
项目归属: 1102;1107
产权排名: 2,4
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
摘要: Mapping Molecular Conformations with Multiple-Mode Two-Dimensional Infrared Spectroscopy
研究领域[WOS]: Chemistry ;  Physics
英文摘要: The multiple-mode two-dimensional infrared (2D-IR) spectrum in a broad frequency range from 1000 to 3200 cm(-1) of a 1-cyanovinyl acetate solution in CCl(4) is reported. By analyzing its relative orientations of the transition dipole moments of normal modes that cover vibrations of all chemical bonds, the three-dimensional molecular conformations and their population distributions of 1-cyanovinyl acetate are obtained, with the aid of quantum chemistry calculations that translate the experimental transition dipole moment cross angles into the cross angles among chemical bonds.
关键词[WOS]: 2D IR SPECTROSCOPY ;  VIBRATIONAL ECHO SPECTROSCOPY ;  HYDROGEN-BOND ;  ULTRAFAST ;  DYNAMICS
语种: 英语
WOS记录号: WOS:000289403000018
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/115430
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.Rice Univ, Dept Chem, Houston, TX 77005 USA
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Liaoning, Peoples R China

Recommended Citation:
Bian, Hongtao,Li, Jiebo,Wen, Xiewen,et al. Mapping Molecular Conformations with Multiple-Mode Two-Dimensional Infrared Spectroscopy[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2011,115(15):3357-3365.
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