Metallomethanes. XII. Vibrational spectra and force fields of methylmercurimethanes

Janos Mink, Dietrich K. Breitinger, Wolfram Kress

Research output: Contribution to journalArticle

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Abstract

The vibrational spectra data, the assignments, and the results of normal coordinate calculations for CH4 - n(HgCH3)n molecules (2 ≤ n ≤ 4) are reported. The central CHg valence force constants are 1.870, 1.653, and 1.582 N cm-1 while the terminal ones are 2.121, 2,101, and 2.160 N cm-1 for n = 2, 3 and 4, respectively. The latter values are 12, 21, and 27% higher than the central CHg force constants, but all of them are substantially lower than those in dimethylmercury (2.379 N cm-1). These findings can be accounted for in terms of increasing shift of electron density towards the periphery of these molecules and increasing non-bonded metal-metal interaction. The nature of the normal modes is discussed.

Original languageEnglish
Pages (from-to)1-13
Number of pages13
JournalJournal of Organometallic Chemistry
Volume301
Issue number1
DOIs
Publication statusPublished - Jan 18 1986

Fingerprint

Vibrational spectra
vibrational spectra
field theory (physics)
Metals
Molecules
metals
Carrier concentration
molecules
Electrons
valence
shift
interactions
dimethyl mercury

ASJC Scopus subject areas

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

Cite this

Metallomethanes. XII. Vibrational spectra and force fields of methylmercurimethanes. / Mink, Janos; Breitinger, Dietrich K.; Kress, Wolfram.

In: Journal of Organometallic Chemistry, Vol. 301, No. 1, 18.01.1986, p. 1-13.

Research output: Contribution to journalArticle

Mink, Janos ; Breitinger, Dietrich K. ; Kress, Wolfram. / Metallomethanes. XII. Vibrational spectra and force fields of methylmercurimethanes. In: Journal of Organometallic Chemistry. 1986 ; Vol. 301, No. 1. pp. 1-13.
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