6533b7d2fe1ef96bd125e108
RESEARCH PRODUCT
The SO2F2 quasi-spherical top: Correspondence between tensorial and Watson's formalisms
Vincent BoudonMaud RotgerN. Zvereva-loeteMichel Loetesubject
reductions01 natural sciencesasymmetric top moleculesAnalytical ChemistryIon010309 opticsInorganic Chemistrysymbols.namesakeAb initio quantum chemistry methodsQuantum mechanics0103 physical sciencesPhysics::Atomic and Molecular ClustersPhysics::Chemical Physics010306 general physicsSpectroscopy[PHYS.PHYS.PHYS-AO-PH]Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph]Chemistryab initio calculationsOrganic ChemistryRotation formalisms in three dimensionsFormalism (philosophy of mathematics)[ PHYS.PHYS.PHYS-AO-PH ] Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph]symbolsTetrahedronGround stateHamiltonian (quantum mechanics)tensorial formalismquasi-spherical topsdescription
Abstract The SO2F2 quasi-spherical top molecule with C2v symmetry is considered as a distorted spherical top deriving from the SO 4 2 − tetrahedral ion. We present here a detailed correspondence between the tensorial formalism using the Td⊃C2v reorientation and the usual Hamiltonian of Watson. We have also performed ab initio calculations in order to determine the centrifugal distorsion constants in the vibrational ground state.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2006-01-01 |