6533b859fe1ef96bd12b8353

RESEARCH PRODUCT

Development of the Dipole Moment and Polarizability Operators of Octahedral Molecules

Vincent BoudonN CheblalMichel Loete

subject

PhysicsBond dipole momentTransition dipole momentTetrahedral molecular geometryRotational–vibrational spectroscopyMolecular physicsAtomic and Molecular Physics and Opticssymbols.namesakeDipoleStark effectPolarizabilityQuantum mechanicsPhysics::Atomic and Molecular ClusterssymbolsMoleculePhysics::Atomic PhysicsPhysics::Chemical PhysicsPhysical and Theoretical ChemistrySpectroscopy

description

We present a development of the dipole moment and polarizability operators of octahedral molecules, using a tensorial formalism analogous to the one developed for tetrahedral molecules. These operators are involved in the calculation of the intensities of rovibrational transitions as well as in the calculation of the Stark effect. Expressions for the matrix elements are derived. Two simplified models for the study of the Stark effect in such molecules are also proposed and discussed. Copyright 1999 Academic Press.

https://doi.org/10.1006/jmsp.1999.7902