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High resolution spectroscopy of the nu(3) band of DCOOD
Authors:Madeja Frank  Hecker Andreas  Ebbinghaus Simon  Havenith Martina
Institution:Department of Physical Chemistry II, Ruhr-Universit?t Bochum, Universit?tsstrasse 150, D-44780 Bochum, Germany.
Abstract:The rotation-vibration spectrum of DCOOD has been recorded in the carbonyl stretch (nu(3)) region. Using a standard S-reduced Watson Hamiltonian in the I(r) representation, 225 lines could be fitted to a vibrational-rotational band. A full set of molecular constants was obtained. The nu(3) band is found to be strongly perturbed in the K(a): 1<--1 and K(a): 2<--2 subband. The perturbation is attributed to a Fermi resonance with the 2nu(8) overtone band and Coriolis coupling to a combination band (nu(4)+nu(7)). The band center is determined to be 1725.1218(1) cm(-1) which is more than 10 cm(-1) shifted compared to previous studies.
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