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Conformational transformations of bis(trifluorovinyl) derivatives of napthalene and phenanthrene

Authors
Journal
Journal of Molecular Structure
0022-2860
Publisher
Elsevier
Publication Date
Volume
273
Identifiers
DOI: 10.1016/0022-2860(92)87096-e
Disciplines
  • Mathematics
  • Physics

Abstract

Abstract Energetic barriers of conformational transformations of 1,2-bis(trifluorovinyl)-naphthalene and 9,10-bis(trifluorovinyl)phenanthrene were calculated by molecular mechanics (MM) methods and compared with experimental data obtained by NMR. It was found that simple MM methods can give results which are in good agreement with experimental data. The geometries of stable conformations of the above compounds were also calculated.

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