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学科主题: 物理化学
题名: Chiral Sulfur Compounds Studied by Raman Optical Activity: tert-Butanesulfinamide and its Precursor tert-Butyl tert-Butanethiosulfinate
作者: Qiu, Shi1, 2;  Li, Guanna1, 2;  Lu, Shengmei1;  Huang, Baokun1;  Feng, Zhaochi1;  Li, Can1
通讯作者: 冯兆池 ;  李灿
关键词: sulfinamide ;  thiosulfinate ;  Raman optical activity (ROA) ;  electronic circular dichroism (ECD)
刊名: CHIRALITY
发表日期: 2012-09-01
DOI: 10.1002/chir.22038
卷: 24, 期:9, 页:731-740
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 ;  Life Sciences & Biomedicine ;  Physical Sciences
类目[WOS]: Chemistry, Medicinal ;  Chemistry, Analytical ;  Chemistry, Organic ;  Pharmacology & Pharmacy
研究领域[WOS]: Pharmacology & Pharmacy ;  Chemistry
英文摘要: Two chiral sulfur compounds, tert-butyl tert-butanethiosulfinate (1) and tert-butanesulfinamide (2), with inversion of configuration, have been studied by Raman optical activity (ROA) and electronic circular dichroism combined with density functional theory calculation. With the SS linkage in 1, the couplings between the two tertiary carbon atoms often generate large ROA signals, whereas the tertiary carbon atom itself generally makes a large contribution to ROA signals in 2 for similar vibrational modes. The conformational dependence of ROA parameters provides probing conformation around the SS bond from a new perspective. The simultaneous use of electronic circular dichroism and ROA is warranted to extract reliable conformational information. ROA provides a suitable candidate for the stereochemical study of chiral sulfur compounds, especially its capability of sensing the conformation around the SS bond. Chirality 24:731740, 2012. (c) 2012 Wiley Periodicals, Inc.
关键词[WOS]: VIBRATIONAL CIRCULAR-DICHROISM ;  CORRELATED MOLECULAR CALCULATIONS ;  GAUSSIAN-BASIS SETS ;  CYSTINE DISULFIDE GROUP ;  N-SULFINYLIMINO ESTERS ;  ALPHA-BRANCHED AMINES ;  ABSOLUTE-CONFIGURATION ;  ASYMMETRIC-SYNTHESIS ;  CHIROPTICAL PROPERTIES ;  ENANTIOSELECTIVE SYNTHESIS
语种: 英语
WOS记录号: WOS:000308080600007
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/118132
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.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:
Qiu, Shi,Li, Guanna,Lu, Shengmei,et al. Chiral Sulfur Compounds Studied by Raman Optical Activity: tert-Butanesulfinamide and its Precursor tert-Butyl tert-Butanethiosulfinate[J]. CHIRALITY,2012,24(9):731-740.
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