Title

Vibrational spectra of trans-2,3-difluorooxirane and its 18O and 2H isotopic modifications

Abstract

Infrared and Raman spectra are reported for trans-2,3-difluorooxirane (difluoroethylene oxide) and its 18O and d2 isotopic modifications. Complete assignments of the vibrational fundamentals of the three species are proposed. The frequencies(in cm−)for the d0 species are:(a) 3086, 1480, 1271, 1162, 1057, 954, 511, 320; (b) 3068, 1320, 1135, 1099, 830, 578, 328. From the frequency shifts with isotopic substitution as well as group frequency considerations the normal modes are characterized approximately in terms of symmetry coordinates. CC stretching is mixed with symmetric CH bending but is largely in ν2, symmetric COC stretching is divided between ν4 and ν6, and antisymmetric COC stretching is divided between ν12, ν13, and ν14. The characterizations of the normal modes of trans-2,3-difluorooxirane have led to some revisions in the descriptions of the modes of the isoelectronic molecule, trans-1,2-difluorocyclopropane.

Publisher

Elsevier BV

Publication Date

1-1-1988

Publication Title

Spectrochimica Acta Part A: Molecular Spectroscopy

Department

Chemistry and Biochemistry

Document Type

Article

DOI

10.1016/0584-8539(88)80117-X

Language

English

Format

text

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