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学科主题物理化学
Hydrogen bonding in homochiral dimers of hydroxyesters studied by Raman optical activity spectroscopy
Qiu, Shi1,2; Li, Guanna1,2; Wang, Peng1,2; Jia, Guoqing1; Feng, Zhaochi1; Li, Can1; Feng ZC(冯兆池); Li C(李灿)
关键词Raman Optical Activity Lactate Hydrogen Bonding Homochiral Dimers
刊名JOURNAL OF RAMAN SPECTROSCOPY
2012-04-01
DOI10.1002/jrs.3056
43期:4页:503-513
收录类别SCI
文章类型Article
部门归属5
项目归属503
产权排名1,1
WOS标题词Science & Technology ; Technology
类目[WOS]Spectroscopy
研究领域[WOS]Spectroscopy
关键词[WOS]VIBRATIONAL CIRCULAR-DICHROISM ; CORRELATED MOLECULAR CALCULATIONS ; GAUSSIAN-BASIS SETS ; METHYL LACTATE ; CHIRAL RECOGNITION ; GLOBULAR-PROTEINS ; GREEN SOLVENT ; ETHYL LACTATE ; LACTIC-ACID ; GAS-PHASE
英文摘要Spectroscopic analysis of homochiral dimerization is important for the understanding of the homochirality of life and enantioselective catalysis. In this paper, (S)-methyl lactate and related molecules were studied to provide detailed structural information on hydrogen bonding in homochiral dimers of chiral a-hydroxyesters through the experimental and theoretical study of Raman optical activity. Different homochiral dimers can be distinguished by comparing their simulated Raman optical activity spectra with the experimental results. Hydrogen bonding motions are decoded with the aid of vibrational motion analysis, which are apparently involved in vibrational motions below 800?cm1. A common feature related to the chain-bending mode also indicates the absolute configuration of methyl lactate and related molecules. The differing behavior of electric dipoleelectric quadrupole invariants (beta(A)2) compared with the electric dipolemagnetic dipole invariant (beta(G')2), suggests that the intermolecular hydrogen bonding motion behaves differently from the intramolecular one in the asymmetric molecular electric and magnetic fields. These results may help understand hydrogen-bonded self-recognition and other dynamical features in chiral recognition. Copyright (c) 2011 John Wiley & Sons, Ltd.
语种英语
WOS记录号WOS:000302952800007
引用统计
被引频次:5[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/118082
专题中国科学院大连化学物理研究所
通讯作者Feng ZC(冯兆池); Li C(李灿)
作者单位1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China
2.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China
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Qiu, Shi,Li, Guanna,Wang, Peng,et al. Hydrogen bonding in homochiral dimers of hydroxyesters studied by Raman optical activity spectroscopy[J]. JOURNAL OF RAMAN SPECTROSCOPY,2012,43(4):503-513.
APA Qiu, Shi.,Li, Guanna.,Wang, Peng.,Jia, Guoqing.,Feng, Zhaochi.,...&李灿.(2012).Hydrogen bonding in homochiral dimers of hydroxyesters studied by Raman optical activity spectroscopy.JOURNAL OF RAMAN SPECTROSCOPY,43(4),503-513.
MLA Qiu, Shi,et al."Hydrogen bonding in homochiral dimers of hydroxyesters studied by Raman optical activity spectroscopy".JOURNAL OF RAMAN SPECTROSCOPY 43.4(2012):503-513.
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