Vibrational spectra of 3-fluorocyclopropene-d0 and -d3

Abstract

Infrared and Raman spectra of 3-fluorocyclopropene-d0 and -d3 have been recorded. Complete assignments of the vibrational fundamentals for these two isotopic species are proposed. For the d0 species the fundamentals (in cm^-^1) are: (a') 3162, 3032, 1623, 1324, 1200, 956, 936, 660, 457; (a'') 3122, 1060, 1037, 876, 860, 446. By means of an overlay normal coordinate calculation involving the six isotopomers of 3-chlorocyclopropene as well as the two isotopomers of 3-fluorocyclopropene, empirical force constants for 3-fluorocyclopropene have been fitted. Approximate descriptions of the normal modes are proposed on the basis of the normal coordinate calculations as well as group frequency considerations. Force constants for stretching C C and C C bonds are comparable for these two halocyclopropenes.

Publisher

Elsevier BV

Publication Date

1-1-1987

Publication Title

Spectrochimica Acta Part A: Molecular Spectroscopy

Department

Chemistry and Biochemistry

Document Type

Article

DOI

https://dx.doi.org/10.1016/0584-8539(87)80217-9

Language

English

Format

text

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