Abstract: Specific features of changes of molecular dipole characteristics upon isotopic substitution are discussed. On the basis of the operator perturbation theory and the group theory, analytic expressions are obtained for the first time for six expansion parameters of an effective dipole moment (ai µ1, ai µ4, ai µ5, ai µ9, ai µ12, and ai µ14) in the case of the nonsymmetric substitution XYZ ← XY2. The expressions that yield relationship between the equilibrium dipole moment and the first dipole moment derivatives of a “parent” molecule and an isotopically substituted molecule are obtained. For the example of the 32S16O2, 34S16O2, 32S18O2, and 32S16O18O molecules, the parameters of an effective dipole moment are numerically calculated.
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Atomic and Molecular Physics, and Optics