Interaction-induced Raman scattering molecules

Potential energy surfaces of weakly bound dimers and trimers are the key quantities needed to compute transition frequencies in the high resolution spectra, (differential and integral) scattering cross sections or rate coefficients describing collisional processes between the molecules, or some thermodynamic properties needed to derive equations of state for condensed phases. However, some other quantities governed by weak intermolecular forces are needed to describe intensities in the spectra or, more generally, infrared and Raman spectra of unbound (collisional complexes) of two molecules, and dielectric and refractive properties of condensed phases. These are the interaction-induced (or collision-induced) dipole moments and polarizabilities. 

A. De Santis and M. Sampoli. Raman scattering from linear molecules. In G. Birnbaum (ed.). Phenomena Induced by Intermolecular Interactions, Plenum Press, New York, 1985, pp. 

The three terms of Eq. (18) stand for three distinct processes. The first is the usual scattering of the isolated molecule. The second corresponds to the additional Raman scattering by the molecule due to the local field induced by the polarizable metal. The third term is a Raman reflectivity, where the coupling mechanism is the coulombic interaction [see Section III.2(iii)]. If the term Mai is 1, then enhancements of the Raman scattering are expected. 

The condition for a molecule to be Raman active is a change in the polarization (deformation) of the electron cloud during the interaction with the incident radiation. In case of Raman scattered radiation, the magnitude of the field vector E of the exciting radiation is modulated by the molecular vibrations. The induced dipole moment /t is... 

The solvent-induced stereochemical behaviour of a bile acid-based biphenyl phosphite has been studied experimentally using circular dichroism (CD) spectroscopy, and theoretically using DFT quantum mechanical methods. " The FTIR, Raman and surface-enhanced Raman scattering (SERS) spectra of phenyl phosphate disodium salt have been recorded and its vibrational wavenumbers, calculated using the Hartree-Fock/6-31G basis set, compared with experimental values. From SERS spectra study, the molecule is adsorbed on the silver surface with the benzene ring in a tilted orientation. The presence of the phenyl ring and the phosphate group vibrations in the SERS spectrum reveal the interactions between the phenyl... 

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