Fourier transform spectroscopy of the CO-stretching band of O-18 methanol


Lees RM, Murphy R-J, Moruzzi G, Predoi-Cross A, Xu L-H, Appadoo DRT, Billinghurst B, Goulding RRJ, Zhao S. Fourier transform spectroscopy of the CO-stretching band of O-18 methanol. Journal of Molecular Spectroscopy. 2009;256:91-98.


The high-resolution Fourier transform spectrum of the m8 CO-stretching band of CH318OH between 900and 1100 cm1 has been recorded at the Canadian Light Source (CLS) synchrotron facility in Saskatoon,and the majority of the torsion–rotation structure has been analyzed. For the mt = 0 torsional ground state,subbands have been identified for K values from 0 to 11 for A and E torsional symmetries up to J valuestypically well over 30. For mt =1, A and E subbands have been assigned up to K = 7, and several mt = 2 sub-bands have also been identified. Upper-state term values determined from the assigned transitions usingthe Ritz program have been fitted to J(J + 1) power-series expansions to obtain substate origins and sets ofstate-specific parameters giving a compact representation of the substate J-dependence. The mt = 0 sub-band origins have been fitted to effective molecular constants for the excited CO-stretching state and atorsional barrier of 377.49(32) cm1 is found, representing a 0.89% increase over the ground-state value.The vibrational energy for the CO-stretch state was found to be 1007.49(7) cm1. A number of subband-wide and J-localized perturbations have been seen in the spectrum, arising both from anharmonic andCoriolis interactions, and several of the interacting states have been identified. 2009 Elsevier Inc. All rights reserved.