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Parity Violation in Fluorooxirane
Author(s) -
Berger Robert,
Quack Martin,
Stohner Jürgen
Publication year - 2001
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/1521-3773(20010504)40:9<1667::aid-anie16670>3.0.co;2-i
Subject(s) - rotational–vibrational spectroscopy , enantiomer , parity (physics) , molecule , infrared , quantum , spectral line , chemistry , electroweak interaction , microwave , physics , computational chemistry , stereochemistry , atomic physics , quantum mechanics
In contrast to what has been accepted , electroweak quantum chemistry predicts the heats of formation, the structures, the microwave and infrared spectra of enantiomers of chiral molecules to be different. The R enantiomer of fluoroxirane is calculated to be more stable than the S enantiomer by the minute amount of 2×10 −12 J mol −1 , and the relative IR frequency shifts are ≤10 −18 (see scheme). Nevertheless, this recently synthesized compound may prove useful for fundamental experimental tests and calculations of parity violation in chiral molecules because of its particularly simple rovibrational spectrum and its rigid cyclic structure composed of light atoms.