THE GROUND STATE TORSION-ROTATION SPECTRUM OF PROPARGYL ALCOHOL ($HCCCH_{2}OH$)

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1996

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Ohio State University

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The ground state torsion-rotation spectrum of the asymmetric internal hydroxyl rotation in propargyl alcohol (HCCCH2OH) has been investigated in the 84 to 640 GHz range. The ground state has been confirmed to consists of two torsional sub-states of the gauche conformera, a symmetric gauche state (gauche+) and an antisymmetric gauche state (gauche). No evidence of a low lying third state or trans conformer has been observed. The more stable gauche + state is 652389.5 MHz below the gauche- state. Due to their close proximity, the two gauche states interact strongly through a series of a- and b-type corilolis interactions. Strong a- and weak b-dipole rotational transitions are observed within each sub-state while strong c-dipole rotational transitions are observed between the two sub-states. Over 2300 transitions covering a range of J and Ka values to 80 and 34, respectively, have been fit to experimental accuracy using a fixed-frame-axis method (FFAM) Hamiltonian. The rotation, distortion and interaction constants have been determined. The 652 GHz gauche + gauche- energy difference, strong gauche+ to gauche- transitions and the constants derived from the analysis should enable rapid astronomical detection.

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aEizi Hirota, J. Mol. Spectrasc. 26, 335 (1968).


Author Institution: Jet Propulsion Laboratory, California Institute of Technology

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