Calculation of the energies of torsional states for dihydroxybenzenes

Abstract

We present theoretical models and results of calculations of the energies of torsional states of dihydroxybenzenes: flexible molecules with two non-coaxial internal tops of low symmetry.

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Correspondence to M. B. Shundalov.

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Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 74, No. 2, pp. 178–183, March–April, 2007.

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Shundalov, M.B., Pitsevich, G.A., Ksenofontov, M.A. et al. Calculation of the energies of torsional states for dihydroxybenzenes. J Appl Spectrosc 74, 199–206 (2007). https://doi.org/10.1007/s10812-007-0031-x

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Key words

  • dihydroxybenzene
  • torsional state
  • symmetry coordinate
  • perturbation theory