DICP OpenIR
Subject Area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)
KeywordRaman Optical Activity Lactate Hydrogen Bonding Homochiral Dimers
Source PublicationJOURNAL OF RAMAN SPECTROSCOPY
2012-04-01
DOI10.1002/jrs.3056
Volume43Issue:4Pages:503-513
Indexed BySCI
SubtypeArticle
Department5
Funding Project503
Contribution Rank1,1
WOS HeadingsScience & Technology ; Technology
WOS SubjectSpectroscopy
WOS Research AreaSpectroscopy
WOS KeywordVIBRATIONAL CIRCULAR-DICHROISM ; CORRELATED MOLECULAR CALCULATIONS ; GAUSSIAN-BASIS SETS ; METHYL LACTATE ; CHIRAL RECOGNITION ; GLOBULAR-PROTEINS ; GREEN SOLVENT ; ETHYL LACTATE ; LACTIC-ACID ; GAS-PHASE
AbstractSpectroscopic 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.
Language英语
WOS IDWOS:000302952800007
Citation statistics
Cited Times:5[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/118082
Collection中国科学院大连化学物理研究所
Corresponding AuthorFeng ZC(冯兆池); Li C(李灿)
Affiliation1.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
Recommended Citation
GB/T 7714
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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