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Vibrational spectra and conformations of 2- and 3-methylbicyclo[4.4.0]decanes

  • Physical Chemistry
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Bulletin of the Russian Academy of Sciences, Division of chemical science Aims and scope

Abstract

The conformations and heats of formation of all trans(T)- and cis(C)-2- and 3-methyl-substituted T- and Cbicyclo[4.4.0]decanes (BD) were calculated by the MM2 method of molecular mechanics. It was shown that the conformationally mobile T-2-Me-CBD and T-3-Me-CBD can exist in normal conditions as an inseparable mixture of conformers with a different equatorial or axial orientation of the Me groups. The Raman scattering (RS) spectra of TBD and CBD were investigated. RS bands whose frequencies were sensitive to the type of ring linkage and orientation (but not the position) of the Me substituents were detected in the 700–300 cm−1 region.

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Authors
  1. V. G. Avakyan
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  2. N. A. Kubasova
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  3. É. Kh. Kurasheva
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  4. I. A. Musaev
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Additional information

A. V. Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, 117912 Moscow. Translated from Izvestiya Akademii Nauk, Seriya Khimicheskaya, No. 9, pp. 2089–2097, September, 1992.

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Avakyan, V.G., Kubasova, N.A., Kurasheva, É.K. et al. Vibrational spectra and conformations of 2- and 3-methylbicyclo[4.4.0]decanes. Russ Chem Bull 41, 1628–1634 (1992). https://doi.org/10.1007/BF00863584

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  • DOI: https://doi.org/10.1007/BF00863584

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