Vibrational circular dichroism of tetraphenylporphyrin in peptide complexes? A computational study.

@article{Bou2000VibrationalCD,
  title={Vibrational circular dichroism of tetraphenylporphyrin in peptide complexes? A computational study.},
  author={P. Bouř and K. Z{\'a}ruba and M. Urbanov{\'a} and V. Setni{\vc}ka and P. Matějka and Z. Fiedler and V. Král and K. Volka},
  journal={Chirality},
  year={2000},
  volume={12 4},
  pages={
          191-8
        }
}
The Raman and absorption spectra of tetraphenylporphyrin (TPP) were calculated and compared to experiment. The computation was based on the harmonic molecular force field and electric tensors obtained ab initio at the BPW91/6-31G* level. Good agreement was found between experimental and calculated frequencies and intensities. In order to estimate whether induced optical activity in chiral complexes interferes with the signal of peptide vibrations, the vibrational circular dichroism (VCD… Expand
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