V. Novikov, A. Yarkov, V. Brel
Nov 1, 1986
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Journal
Bulletin of the Academy of Sciences of the USSR, Division of chemical science
Abstract
Conclusions1.The analysis of the vibration spectra of bromochlorofluoronitromethane, synthesized for the first time, based on solving the vibration problem, showed that the frequencies of deformation vibrations below 700 cm−1 are reproduced by a force field based on the molecules CX3NO2 (X=F, Cl, Br) and HCBrClF. For agreement of experimental and calculated frequencies of the nitro-group higher than 700 cm−1 more precision in the force field description is required.2.Molecules of different conformation correctly reproduce the PR splitting of the vibration-rotational contour ofνas andνs.