A ROTATIONAL HAMILTONIAN FOR THE GROUND VIBRATIONAL STATE OF HYDRAZINE
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Date
1981
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Ohio State University
Abstract
A Hamiltonian matrix suitable for fitting rotational energy levels of the hydrazine $molecule^{1}$ $(H_{2}N-NH_{2})$ in its ground vibrational and electronic state has need obtained. This matrix is, of dimension $16\times16$, where the 16 functions labeling the rows and columns consist of the two members of a near-prolate asymmetric rotor doublet (with given $|K_{a}|)$ for the eight different, but chemically equivalent, conformers which the molecule can reach by various combinations of the - $NH_{2}$ inversion at either end of the molecule, and the internal rotation about the N-N bond. The matrix is derived in a phenomenological fashion, by applying group theoretical $arguments^{2}$ to a model in which tunneling among the various frameworks is assumed to be very slow compared with the vibrational frequencies. A comprehensive treatment of the large-amplitude vibrational potential surfaces and associated tunneling pathways has not been carried out, nor have quartic $(J^{4})$ centrifugal distortion effects been considered in a systematic fashion. Preliminary fits indicate that the model developed can be used to fit the hydrazine microwave $data^{3}$ in a consistent fashion, and a full treatment of such data has been undertaken.
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$^{1}$ T. Kasuya, Sci. Papers Inst. Phys. Chem. Res. 56, 1-39 (1962) $^{2}$ B. J. Dalton, J. Chem. Phys. 54, 4745-4762 (1971) $^{3}$ S. Tsunekawa and T. Kojima, J. Phys. Soc. Japan 49, 1957-1964 (1980)
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