dc.creator Duan, Yun-Bo en_US dc.creator Takagi, Kojiro en_US dc.date.accessioned 2007-11-20T17:05:52Z dc.date.available 2007-11-20T17:05:52Z dc.date.issued 1995 en_US dc.identifier 1995-MI-04 en_US dc.identifier.uri http://hdl.handle.net/1811/29515 dc.description Author Institution: Toyama University, Toyama 930, Japan en_US dc.description.abstract A new analytic approach to the torsional-rotational Hamiltonian for an asymmetric top molecule containing a methyl group internal rotor is proposed and a formal theory of centrifugal distortion is then formulated. A detailed discussion is presented of the relationships between the distortion constants and the vibrational potential constants. The reduced Hamiltonian for a molecule containing a plane of symmetry is given and formulas are obtained that relate the empirical constants appearing in the reduced Hamiltonian to the basic molecular parameters of the original Hamiltonian. As a check, we have fitted to within experimental accuracy a global data set for methanol containing 850 microwave lines involving transitions with $J \leq 12, K \leq 8$ and $\nu t$ (torsional quantum number) $\leq 2$. The root-mean-square (RMS) deviation of 0.082 MHz for the MW fitting has been achieved. We also carried out a global fit of $\nu t = 0, 1$ and $J \leq 12$ methanol data set obtained by combining 670 microwave lines with 2370 far infrared lines. The MW and FIR lines were fit to the RMS deviation of 0.096 MHz and $0.0003 cm^{-1}$, respectively. en_US dc.format.extent 58473 bytes dc.format.mimetype image/jpeg dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title A NEW ANALYSIS OF THE TORSION-ROTATION HAMILTONIAN FOR AN ASYMMETRIC MOLECULE CONTAINING A METHYL GROUP INTERNAL ROTOR en_US dc.type article en_US
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