High Resolution Fourier Transform Far Infrared Spectroscopy of CH3OD

Assignment, fit, and theoretical discussion of the ν10 band of acetaldehyde near 509cm−1

“…It soon became obvious, however, that this procedure could be made significantly faster by using the RITZ program [14][15][16][17][18][19], which searches for multiple transitions to the same upper state from different lower state levels, making use at first of a data base of known ground state combination differences and later updating that data base from its own assignments. The RITZ program simultaneously checks all combination differences to all assigned states to which transitions are allowed, and displays on the computer monitor the spectral regions where new extrapolated lines are expected.…”

“…K-type doubling is evident for K = 1 and 2 levels. (ii) Bath energy levels with v t = 1 (K =16,17) and v t = 2 (K = 13, 14, 15) belong to torsional states below the barrier. They are plotted as small circles connected by green lines and interact only slightly with the other levels in the figure.…”

Millimeter-Wave Spectra and Global Torsion–Rotation Analysis for the CH3OD Isotopomer of Methanol

“…The 564 MW and MMW frequencies were obtained from the NIST MW data center compilation (25), previous literature (8 -13), private files (26), and the new measurements discussed above from Ohio State and UNB (24). The 4664 fitted FTFIR data were derived from analysis, with the aid of the Ritz program (27), of spectra recorded in the Giessen laboratory (16,17). For the Fourier transform measurements, the long integration times again meant that chemical exchange between D and H was a significant problem, and strong CH 3 OH lines can be seen in published segments of the FIR spectra (16,18).…”

Global Fit of Torsion–Rotational Transitions in the First Three Torsional States of CH3OD

“…Most of the Fourier transform FIR lines were obtained from Ref. (30) and were used in the analysis presented in Ref. (31), while the data involving v t ϭ 1 are unpublished assignments that were obtained by using the Ritz program to fit measurements performed on the Bruker FT spectrometer in Giessen (54).…”