ABSTRACT
A global fit of all currently available rotation-vibration energies has been made for 24 vibrational states of the H802Se molecule. The resulting set of 112 parameters reproduces the initial 3516 vibration-rotation energies with a mean accuracy of 10.6 x 10(-3) cm-1. Using this model as a starting point, the rotational fine structure of the extremely weak local mode bands (13(+); 1)/(13(-); 1) and (06(+); 0)/(06(-); 0) could be analyzed; the results are discussed. Copyright 1998 Academic Press.
ABSTRACT
The infrared spectrum of doubly deuterated methane CH2D2 has been recorded in the region from 1900 to 2400 cm-1 at almost Doppler-limited resolution by using two high-resolution Fourier transform spectrometers. The vibrational bands observed include 2nu4, nu4 + nu7, 2nu7, nu2, nu8, nu4 + nu9, and nu7 + nu9, which were analyzed by taking into account Coriolis and Fermi interactions among them and also those with nu4 + nu5, nu3 + nu7, and nu5 + nu7. Most of the centrifugal distortion constants were constrained to appropriate values, while the vibrational term value and three rotational constants in each of the seven excited states were adjusted along with Coriolis and Fermi interaction parameters by the least-squares analysis of the observed spectrum. The vibration-rotation interaction constants alphas thus determined for the nu2 and nu8 states were combined with those of other fundamental states already published to calculate the equilibrium C-H distance.
