The effect of isotope substitution in polyatomic molecules on the displacements of absorption vibration-rotation band centers is considered. Formulas are obtained that allow the band-center displacements to be calculated in harmonic approximation and with anharmonicity. The effect of resonance interactions is also considered. The results obtained are illustrated by numerical calculation for a number of molecules.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Atomic and Molecular Physics, and Optics