Observation and characterization of a specific vibrational circular dichroism band in phenyl glycosides
β Scribed by Tohru Taniguchi; Ikuko Tone; Kenji Monde
- Publisher
- John Wiley and Sons
- Year
- 2008
- Tongue
- English
- Weight
- 502 KB
- Volume
- 20
- Category
- Article
- ISSN
- 0899-0042
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## Abstract For Abstract see ChemInform Abstract in Full Text.
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
Vibrational absorption and circular dichroism intensities due to the C-H stretching vibrations of 2,3-d+xiranc are interpreted by deriving semi-classical expressions involving the charge reorganization.