Metallomethanes. XIII. Vibrational spectra and force fields of cyanomercuriomethanes

J. Mink, Dietrich K. Breitinger, Wolfram Kress, Wilfred Morell, Raymond Sendelbeck

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Abstract

Vibrational spectra with assignments and results of normal coordinate calculations for cyanomercuriomethanes CH4-n(HgCN)n (2 ≤ n ≤ 4) are discussed. The valence force constants of the central CHg bonds are 2.149, 1.944, and 1.798 N cm-1,while those of the HgCN bonds are 2.204, 2.123, and 2.162 N cm-1, for n = 2, 3 and 4, respectively. All these force constants are lower than the corresponding constants for methylmercury cyanide (2.445 and 2.379 N cm-1). The overall behaviour of these force constants as a function of the degree of mercuration n is quite similar in both the cyanomercuriomethanes CH4-n(HgCN) and methylmercuriomethanes CH4-n(HgCH3)n series with the difference that there are variations in the constants at higher values in the former series. The potential energy distributions indicate that the valence vibrations of the CH, CN, and HgCN bonds are almost independent of all other vibrations, which in turn are more or less strongly coupled.

Original languageEnglish
Pages (from-to)273-282
Number of pages10
JournalJournal of Organometallic Chemistry
Volume306
Issue number3
DOIs
Publication statusPublished - Jun 3 1986

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Cyanides
Vibrational spectra
Vibration
Potential energy
vibrational spectra
field theory (physics)
valence
vibration
cyanides
energy distribution
potential energy
methylidyne

ASJC Scopus subject areas

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

Cite this

Metallomethanes. XIII. Vibrational spectra and force fields of cyanomercuriomethanes. / Mink, J.; Breitinger, Dietrich K.; Kress, Wolfram; Morell, Wilfred; Sendelbeck, Raymond.

In: Journal of Organometallic Chemistry, Vol. 306, No. 3, 03.06.1986, p. 273-282.

Research output: Contribution to journalArticle

Mink, J. ; Breitinger, Dietrich K. ; Kress, Wolfram ; Morell, Wilfred ; Sendelbeck, Raymond. / Metallomethanes. XIII. Vibrational spectra and force fields of cyanomercuriomethanes. In: Journal of Organometallic Chemistry. 1986 ; Vol. 306, No. 3. pp. 273-282.
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N2 - Vibrational spectra with assignments and results of normal coordinate calculations for cyanomercuriomethanes CH4-n(HgCN)n (2 ≤ n ≤ 4) are discussed. The valence force constants of the central CHg bonds are 2.149, 1.944, and 1.798 N cm-1,while those of the HgCN bonds are 2.204, 2.123, and 2.162 N cm-1, for n = 2, 3 and 4, respectively. All these force constants are lower than the corresponding constants for methylmercury cyanide (2.445 and 2.379 N cm-1). The overall behaviour of these force constants as a function of the degree of mercuration n is quite similar in both the cyanomercuriomethanes CH4-n(HgCN) and methylmercuriomethanes CH4-n(HgCH3)n series with the difference that there are variations in the constants at higher values in the former series. The potential energy distributions indicate that the valence vibrations of the CH, CN, and HgCN bonds are almost independent of all other vibrations, which in turn are more or less strongly coupled.

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