LINE INTENSITIES CALCULATIONS IN THE PURE TORSION-ROTATION BANDS OF HYDROGEN PEROXIDE:

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Using high resolution Fourier transform spectra (∼0.002cm−1) recorded at IROE and at Giessen, it was possible to measure 2072 line intensities from the torsion-rotation spectrum of H2O2 in the 25−400cm−1 spectral region. These intensities were introduced in a least squares fit calculations to get the expansion of the transition moment operator of the torsion-rotation band of H2O2. Finally a synthetic spectrum of the far infrared absorption of H2O2 was generated, using for the line intensities the dipole moment expansion determined in this work and for the line positions the parameters from CamyPeyretetal(1): in addition to the the vibration-rotation resonances involving the ground state and the ν3=1 vibrational state, the model(1,2) used to calculate the positions and intensities takes into account the torsional effect i.e. the torsional dependence of the dipole moment and the (Δ=±1,ΔKa=±2) torsion-rotation resonances within the ground vibrational state, together with the ``staggering'' effect which is due to the tunnelling through the cis-barrier. Financial support from the European Community under contract EV5V-CT92-0076 is gratefully acknowledged.

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  1. C. Camy-Peyret, J. -M. Flaud, J. W. C. Johns, and M. Noel, J. Mol. Spectrosc. 155, 84 (1992) 2. J. -M. Flaud, C. Camy-Peyret, J. W. C. Johns, and B. Carli, J. Chem. Phys. 91, 1504 (1989).

Author Institution: "CNRS, Université Pierre et Marie Curie", Tour 13, bte 76, 4 Place Jussieu, F-75252 PARIS, Cedex 05, France; Institut der Justus Liebig Universitat, Heinrich Buff Ring 58, D-35392 Giessen Germany.; IROE-CNR, Via Panciatichi, 64 - 50127 Firenze Italy; Adam Mickiewick University, 60-780 Poznam, Poland.

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