Abstract
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(i) no numerical integration is necessary at any step of calculation, and (ii) the three-dimensional integrals have been replaced by the products of one-dimensional integrals. It has been proven that the inversion–torsion coupling in hydrazine is negligible and the inversion–inversion coupling is very strong. The barrier to inversion of 2072 cm−1is slightly higher than that in ammonia and the barrier to internal rotation of 934 cm−1is relatively high but lower than that determined previously from one-dimensional models.
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