Calculation of intensities of torsional-rotational bands in the IR absorption spectrum of hydrogen peroxide


We present the calculated intensity distributions in torsional-rotational IR absorption bands of hydrogen peroxide. The torsional components of the band intensities have been calculated based on the appropriate matrix element computations. The contribution of the rotational components has been calculated using the 3j-symbols technique. The calculations have proved the reliability of available data on rotational constants, barrier heights of internal rotation, and locations of torsional-rotational levels of hydrogen peroxide.

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Correspondence to G. A. Pitsevich.

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Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 75, No. 2, pp. 153–158, March–April, 2008.

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Shashok, A.V., Shundalov, M.B. & Pitsevich, G.A. Calculation of intensities of torsional-rotational bands in the IR absorption spectrum of hydrogen peroxide. J Appl Spectrosc 75, 157–162 (2008).

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Key words

  • hydrogen peroxide
  • torsional-rotational spectrum
  • intensity calculations
  • 3j-symbols