THE GROUND STATE ROTATIONAL SPECTRUM OF METHANOL
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Date
2006
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Publisher
Ohio State University
Abstract
Internal rotation plays a very important role in the rotational spectrum of methanol. The overall rotation of the molecule couples very strongly to the rotation of the methyl top, which results in a significant $K$-dependant contribution to the energy levels. The light nearly prolate nature of methanol results in the most intense Q and R-branches being in the THz region of the spectrum. It also results in the $K>8$ P-branch transitions being at high $J$ in the millimeter and microwave regions of the spectrum. In addition, methanol is one of the most abundant molecules in star-forming regions in the molecular interstellar medium and is therefore of great interest to astronomy as it will have a significant presence in almost any far-infrared astronomical spectrum. The ground state spectrum of methanol has been studied in unprecedented detail, with over 1 THz of frequency measured spectra with sufficient sensitivity to detect weak high $J$ transitions. Previous studies of the ground state avoided a number of pathologies in the spectrum such as $K$ crossings in the $E$-states and level crossings between the ground state and the excited torsional state. A number of these strongly interacting energy levels have been identified and should facilitate precise determination of the off-diagonal torsion rotation interaction parameters. The $v_{t}$=0 state data has been compiled together with previous data into an extensive line list of over 3800 transitions, including new assignments up to $J$=46 and $K$=18. This data set will allow for fitting of some of the higher order effects in the rotational Hamiltonian of this state as well as potentially illuminating a number of quantum mechanical details in the $C_{3V}$ internal rotation problem. Lastly it will provide a very complete database for observable transitions in interstellar spectra. The results of our analysis will be discussed here.
Description
Author Institution: Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena,; California 91125; Jet Propulsion Laboratory, California Institute of Technology, Pasadena, California; 91109; Division of Geological and Planetary Sciences, California Institute of Technology, Pasadena,; California 91125