The Journal of Chemical Physics · 1970 · 10 citations · 6 references
Natural SciencesChemistryQuantum ChemistrySpectroscopic AnalysisSpectroscopyMicrowave SpectroscopyMolecular RotationRotational SpectroscopyRotational StructureEffective Hamiltonian TheoryEffective Rotational HamiltonianHamiltonian FormulationMolecular Hamiltonian AnalysisMolecular Rotational ConstantsPrincipal AxisRotational Transition FrequenciesRotational-vibrational Spectroscopy
The ground-state rotational spectrum of monomethylfurazan has been assigned, and splittings of the transitions into A and E components have been analyzed according to the principal axis treatment. All the terms in the effective Hamiltonian through fourth order are needed to explain the spectrum. Iα and s were obtained by a least-squares fit of the calculated splittings to the observed. This treatment gives Iα = 3.19 ± 0.01 amu·Å2 for the moment of inertia of the methyl group and V3 = 722 ± 4 cal/mole for the barrier to internal rotation.
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