Force field studies of some trifluoromethyl- and trichloromethyl-mercury-II) compounds

J. Mink, P. L. Goggin

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

Force constants of [Hg(CF3)2], [Hg(CCl3)2], [Hg(CF3)X] (X = Cl, Br, or I) and [Hg(CCl3)X] (X = Cl or Br) have been calculated using a valence force field and wavenumber data from solutions. The potential energy distributions show substantial mixing between the symmetrical stretching and umbrella deformation coordinates of the trihalomethyl groups. The high degree of mixing of HgC and HgX stretching coordinates in [Hg(CF3)Br] and [Hg(CF3)I] accounts for the discontinuous frequency and intensity trends in the [Hg(CF3)X] series. The results are discussed in comparison with methylmercury and other trifluoromethyl systems.

Original languageEnglish
Pages (from-to)115-127
Number of pages13
JournalJournal of Organometallic Chemistry
Volume246
Issue number2
DOIs
Publication statusPublished - Apr 19 1983

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Mercury compounds
Mercury Compounds
field theory (physics)
Stretching
Potential energy
energy distribution
potential energy
valence
trends

ASJC Scopus subject areas

  • Biochemistry
  • Chemical Engineering (miscellaneous)
  • Inorganic Chemistry
  • Organic Chemistry
  • Physical and Theoretical Chemistry
  • Materials Science (miscellaneous)
  • Materials Chemistry

Cite this

Force field studies of some trifluoromethyl- and trichloromethyl-mercury-II) compounds. / Mink, J.; Goggin, P. L.

In: Journal of Organometallic Chemistry, Vol. 246, No. 2, 19.04.1983, p. 115-127.

Research output: Contribution to journalArticle

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