6533b838fe1ef96bd12a3bf6
RESEARCH PRODUCT
Analysis of the "Unusual" Vibrational Components of Triply Degenerate Vibrational Mode nu(6) of Mo(CO)(6) Based on the Classical Interpretation of the Effective Rotation-Vibration Hamiltonian.
Boris ZhilinskiiDmitrií A. SadovskiíVincent BoudonG. Dhontsubject
PhysicsDegenerate energy levelsRotational–vibrational spectroscopyMolecular physicsAtomic and Molecular Physics and OpticsRotational energyVibrationsymbols.namesakeSingularityQuantum mechanicssymbolsPhysical and Theoretical ChemistryHamiltonian (quantum mechanics)QuantumSpectroscopyExcitationdescription
Rotational structure of the triply degenerate vibrational state nu(6)(F(1u)) of the octahedral molecule Mo(CO)(6) is analyzed qualitatively on the basis of classical mechanics. We show that the energy level redistribution between the vibrational components of nu(6)(F(1u)) occurs due to rotational excitation and is related to the formation of singular points of classical rotational energy surfaces. The singularity is stable under small variations of parameters of the effective rovibrational Hamiltonian. Parameters responsible for the persistence of this phenomenon are specified. Comparison with quantum calculations demonstrates the high qualitative and quantitative accuracy of our classical analysis. Copyright 2000 Academic Press.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2001-02-07 | Journal of molecular spectroscopy |