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Volumn 36, Issue 8, 1997, Pages 885-887

Absolute Configuration of Bromochlorofluoromethane from Experimental and Ab Initio Theoretical Vibrational Raman Optical Activity

Author keywords

Ab initio calculations; Bromochlorofluoromethane; Chirality; Configuration determination; Raman optical activity

Indexed keywords


EID: 0030968143     PISSN: 05700833     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.199708851     Document Type: Article
Times cited : (150)

References (38)
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    • V. Schurig, M. Juza, B. S. Green, J. Horakh, A. Simon, Angew. Chem. 1996, 108, 1814-1816; Angew. Chem. Int. Ed. Engl. 1996, 35, 1680-1682. In this paper, the (S)-(+) configuration of isoflurane [2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane] and of desflurane [2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane] have been established by anomalous dispersion of X-rays at cryogenic temperature. We could not apply this method to CHFClBr because no enantiomerically pure sample is presently available. The earlier assignment of the (R)-(+) configuration to desfiurane by VCD (P. L. Polavarapu, A. L. Cholli, G. Vernice, J. Pharm. Sci. 1993, 82, 791-793) has now been found to be erroneous because the samples of the two enantiomers had been wrongly labeled (P. L. Polavarapu. A. L. Cholli, G. Vernice, J. Pharm. Sci. 1997, 86, 267); however, the VCD computations themselves were correct.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.