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The Inversion–Torsion Potential Function for Hydrazine

✍ Scribed by Wiesław Łodyga; Marek Kręglewski; Jan Makarewicz

Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
349 KB
Volume
183
Category
Article
ISSN
0022-2852

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✦ Synopsis

The torsion-inversion potential surface for hydrazine has been determined from the rovibrational data using a new rotation-torsion-inversion Hamiltonian. All elements of the inverse moment of inertia tensor have been expanded into mixed Fourier series of large amplitude coordinates. That gives two major advantages: (i) no numerical integration is necessary at any step of calculation, and (ii) the three-dimensional integrals have been replaced by the products of onedimensional integrals. It has been proven that the inversion-torsion coupling in hydrazine is negligible and the inversioninversion coupling is very strong. The barrier to inversion of 2072 cm 01 is slightly higher than that in ammonia and the barrier to internal rotation of 934 cm 01 is relatively high but lower than that determined previously from onedimensional models.

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