Signatures of counter-ion association and hydrogen bonding in vibrational circular dichroism spectra.

@article{Nicu2011SignaturesOC,
  title={Signatures of counter-ion association and hydrogen bonding in vibrational circular dichroism spectra.},
  author={Valentin Paul Nicu and Mojgan Heshmat and Evert Jan Baerends},
  journal={Physical chemistry chemical physics : PCCP},
  year={2011},
  volume={13 19},
  pages={
          8811-25
        }
}
We study the effect of counter-ion complexation on the example of Cl(-) ions interacting with the [Co(en)(3)](3+) complex. The H-bonding of the N-H groups of the ethylenediamine (en) ligands with the Cl(-) ions may lead to giant enhancement of the VCD intensity for the N-H stretches, but may also lead to VCD sign changes in the finger print region of N-H wagging, twisting and scissoring motions. Such sign changes should not be mistaken for signatures of the presence of the other enantiomer. We… CONTINUE READING