Chemical Physics Letters, Vol.347, No.4-6, 383-389, 2001
tau-Clustering for molecules with large torsional splittings: the nu(7)+nu(8) and 2 nu(8) combination and overtone bands of CH3OH
Line clustering into two groups of differing tau torsional symmetries is considered for parallel infrared vibrational bands of 3-fold internal rotor molecules with large torsional splittings, such as methanol. In bands involving large changes in torsional parameters, the tau -clustering produces a distinctive pair of Q-branch peaks in the low-resolution spectrum. The origin of the tau -clustering and the formation of the twin Q-branch peaks are discussed together with new subband assignments in Fourier transform spectra of the nu (7) + nu (8) CH3-rock/CO-stretch combination and 2 nu (8) CO-stretching overtone bands of CH3OH, which are good representatives of large and small changes in torsional parameters, respectively.