Vibrationally resolved circular dichroism spectra of a molecule with isotopically engendered chirality.

@article{Lin2012VibrationallyRC,
  title={Vibrationally resolved circular dichroism spectra of a molecule with isotopically engendered chirality.},
  author={Na Lin and Harald Solheim and Kenneth Ruud and Marcel Nooijen and Fabrizio Santoro and Xian Zhao and Marcin Kwit and Pawel Skowronek},
  journal={Physical chemistry chemical physics : PCCP},
  year={2012},
  volume={14 10},
  pages={3669-80}
}
We present a theoretical study of vibrationally resolved circular dichroism spectra, both in the adiabatic and non-adiabatic frameworks, with a full account of Franck-Condon and Herzberg-Teller vibrational contributions for the former. Model calculations have been performed on 2(R)-deuteriocyclopentanone, whose chirality is due solely to isotopic… CONTINUE READING