Vibrational spectra, force fields and NMR-data for triorganyl-tetrelomethanes CH4-n(TtR3)n (Tt = Sn and Pb)

C. Stangl, D. K. Breitinger, J. Mink

Research output: Contribution to journalArticle

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Abstract

Based on vibrational spectra normal coordinate calculations have been carried out for trimethyltetrelomethanes CH4-n(TtMe3)n (Tt = Sn and Pb, n = 2 and 4). The resulting comparable force constants of the two distinguishable types of carbon-metal bonds for Tt = Sn (range K(C-Sn) 220 - 180 Nm-1) are 10 - 15% higher than for Tt = Pb (K(C-Pb) 190 - 170 Nm-1). These force constants K(C-Tt) are similar to the K(C-Hg) values of corresponding methylmercuriomethanes CH4-n(HgMe)n. The force constants K (C-Tt), and also the coupling constants 1J(Tt,C) from NMR spectra, indicate weakening of the carbon-metal bonds in the central CTtn groups with growing n, whereas the peripheral TtMe bonds are almost unaffected by variations of n.

Original languageEnglish
Pages (from-to)171-176
Number of pages6
JournalJournal of Molecular Structure
Volume175
Issue numberC
DOIs
Publication statusPublished - 1988

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Vibrational spectra
vibrational spectra
field theory (physics)
Carbon
Metals
Nuclear magnetic resonance
nuclear magnetic resonance
carbon
metals

ASJC Scopus subject areas

  • Structural Biology
  • Organic Chemistry
  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Materials Science (miscellaneous)
  • Atomic and Molecular Physics, and Optics

Cite this

Vibrational spectra, force fields and NMR-data for triorganyl-tetrelomethanes CH4-n(TtR3)n (Tt = Sn and Pb). / Stangl, C.; Breitinger, D. K.; Mink, J.

In: Journal of Molecular Structure, Vol. 175, No. C, 1988, p. 171-176.

Research output: Contribution to journalArticle

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abstract = "Based on vibrational spectra normal coordinate calculations have been carried out for trimethyltetrelomethanes CH4-n(TtMe3)n (Tt = Sn and Pb, n = 2 and 4). The resulting comparable force constants of the two distinguishable types of carbon-metal bonds for Tt = Sn (range K(C-Sn) 220 - 180 Nm-1) are 10 - 15{\%} higher than for Tt = Pb (K(C-Pb) 190 - 170 Nm-1). These force constants K(C-Tt) are similar to the K(C-Hg) values of corresponding methylmercuriomethanes CH4-n(HgMe)n. The force constants K (C-Tt), and also the coupling constants 1J(Tt,C) from NMR spectra, indicate weakening of the carbon-metal bonds in the central CTtn groups with growing n, whereas the peripheral TtMe bonds are almost unaffected by variations of n.",
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T1 - Vibrational spectra, force fields and NMR-data for triorganyl-tetrelomethanes CH4-n(TtR3)n (Tt = Sn and Pb)

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AU - Breitinger, D. K.

AU - Mink, J.

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N2 - Based on vibrational spectra normal coordinate calculations have been carried out for trimethyltetrelomethanes CH4-n(TtMe3)n (Tt = Sn and Pb, n = 2 and 4). The resulting comparable force constants of the two distinguishable types of carbon-metal bonds for Tt = Sn (range K(C-Sn) 220 - 180 Nm-1) are 10 - 15% higher than for Tt = Pb (K(C-Pb) 190 - 170 Nm-1). These force constants K(C-Tt) are similar to the K(C-Hg) values of corresponding methylmercuriomethanes CH4-n(HgMe)n. The force constants K (C-Tt), and also the coupling constants 1J(Tt,C) from NMR spectra, indicate weakening of the carbon-metal bonds in the central CTtn groups with growing n, whereas the peripheral TtMe bonds are almost unaffected by variations of n.

AB - Based on vibrational spectra normal coordinate calculations have been carried out for trimethyltetrelomethanes CH4-n(TtMe3)n (Tt = Sn and Pb, n = 2 and 4). The resulting comparable force constants of the two distinguishable types of carbon-metal bonds for Tt = Sn (range K(C-Sn) 220 - 180 Nm-1) are 10 - 15% higher than for Tt = Pb (K(C-Pb) 190 - 170 Nm-1). These force constants K(C-Tt) are similar to the K(C-Hg) values of corresponding methylmercuriomethanes CH4-n(HgMe)n. The force constants K (C-Tt), and also the coupling constants 1J(Tt,C) from NMR spectra, indicate weakening of the carbon-metal bonds in the central CTtn groups with growing n, whereas the peripheral TtMe bonds are almost unaffected by variations of n.

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