The atom dipole interaction model of Raman optical activity: Reformulation and comparison to the general two-group model
- 15 June 1979
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 70 (12) , 5582-5588
- https://doi.org/10.1063/1.437433
Abstract
The atom dipole interaction (ADI) model of Raman optical activity (ROA) is reformulated and the ADI expressions for the induced polarizabilities are presented in Cartesian tensor notation. These revised expressions are compared with those of the general two‐group (GTG) model. It is shown that the ADI model incorporates antisymmetric tensor contributions to the polarizability which is an important source of optical activity not included in the GTG model. The ROA intensity parameters for the HCBrClF and DCBrClF are presented and the importance of the antisymmetric tensor contributions in this molecule is demonstrated.Keywords
This publication has 13 references indexed in Scilit:
- Raman optical activity. Computation of circular intensity differentials for bromochlorofluoromethaneJournal of the American Chemical Society, 1979
- Raman optical activity. Computation of circular intensity differentials by the atom-dipole interaction modelJournal of the American Chemical Society, 1979
- Organic photochemistry with 6.7-eV photons: bicyclo[n.1.0]alkanes and tricyclo[3.2.1.02,4]octaneJournal of the American Chemical Society, 1978
- Vibrational circular dichroism in amino acids and peptides. 2. Simple alanyl peptidesJournal of the American Chemical Society, 1978
- An atom dipole interaction model for molecular optical propertiesAccounts of Chemical Research, 1977
- Rayleigh and Raman Optical ActivityAnnual Review of Physical Chemistry, 1975
- Simple two-group model for Rayleigh and Raman optical activityJournal of the American Chemical Society, 1974
- On the polarizability theory of optical rotationThe Journal of Chemical Physics, 1973
- Atom dipole interaction model for molecular polarizability. Application to polyatomic molecules and determination of atom polarizabilitiesJournal of the American Chemical Society, 1972
- Theoretical Aspects of Optical Activity Part One: Small MoleculesAdvances in Chemical Physics, 1962