Physical Review · 1939 · 127 citations · 9 references
Natural SciencesChemistryPhysicsPhysical ChemistryQuantum ChemistryVibrationAb Initio MethodsMolecular Orbital TheoryMolecular RotationMolecular SymmetryMolecular VibrationSelection RulesMolecular Rotational StatesRotational Selection RulesRotational-vibrational StructureRotational-vibrational TransitionsSymmetry-allowed TransitionsVibration-rotation CouplingVibrational Selection Rules
A complete theory for the rotation-vibration energies of tetrahedrally pentatomic molecules has been derived to second degree of approximation for certain vibration states. In this discussion the elements of the matrix $H$ are given for the states ${V}_{1}{\ensuremath{\nu}}_{1}$, ${\ensuremath{\nu}}_{2}$, ${V}_{1}{\ensuremath{\nu}}_{1}+{\ensuremath{\nu}}_{3}$, ${V}_{1}{\ensuremath{\nu}}_{1}+{\ensuremath{\nu}}_{4}$, ${\ensuremath{\nu}}_{2}+{\ensuremath{\nu}}_{3}$ and ${\ensuremath{\nu}}_{2}+{\ensuremath{\nu}}_{4}$. The selection rules governing what transitions may take place have been determined with relations for the intensities.
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