High resolution spectroscopy of the nu(3) band of DCOOD.
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.
Department of Physical Chemistry II, Ruhr-Universität Bochum, Universitätsstrasse 150, D-44780 Bochum, Germany.
Frank
F
Madeja
Andreas
A
Hecker
Simon
S
Ebbinghaus
Martina
M
Havenith
D002244:Carbon / Q000737:chemistry*; D002627:Chemistry, Physical / Q000379:methods*; D008958:Models, Molecular; D008962:Models, Theoretical; D013055:Spectrophotometry, Infrared / Q000379:methods*; D013057:Spectrum Analysis / Q000379:methods*
D002244:Carbon