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Intramolecular enantiomerism as revealed from Raman optical activity spectrum
Author(s) -
Shi Juanzi,
Shen HongXia,
Zhang Lisheng,
Wang Peijie,
Fang Yan,
Wu Guozhen
Publication year - 2015
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.4763
Subject(s) - intramolecular force , reflection (computer programming) , raman spectroscopy , chemistry , reflection symmetry , isopropyl , type (biology) , spectrum (functional analysis) , photochemistry , stereochemistry , crystallography , optics , physics , medicinal chemistry , geometry , quantum mechanics , ecology , mathematics , computer science , biology , programming language
An algorithm is employed to retrieve the differential bond polarizabilities (DBP) of the C‐C bonds from the Raman optical activity spectrum of (‐) β ‐pinene. (‐) β ‐pinene possesses two stereo centers (chiral centers) and a local mirror reflection that interchanges the S type part and R type part in one molecular. It is demonstrated that this local mirror reflection could induce an approximate (or symmetry breaking) mirror reflection that reverses the signs of the DBP of the pair bond coordinates that are related to each other by the mirror reflection.This can be called intramolecular enantiomerism (IE). More cases of IE are discussed by the analysis of (‐) α ‐pinene, (R)‐(+)‐4‐isopropyl‐1‐methylcyclohexene and (R)‐(+)‐3‐methylcyclohexanone together with previously studied limonene case. Copyright © 2015 John Wiley & Sons, Ltd.