The helical twisting power (HTP) of a chiral guest in a chiral or achiral mesophase as host system is a chirality observation and, therefore, should be a suitable quantity for determination of the absolute configuration. Rules correlating the sign of the HTP and the absolute configuration of the gue
โฆ LIBER โฆ
Complexation, Solvation, and Chirality Transfer in Vibrational Circular Dichroism
โ Scribed by Nicu, Valentin Paul ;Baerends, Evert Jan
- Book ID
- 125483729
- Publisher
- John Wiley & Sons, Inc.
- Year
- 2012
- Weight
- 620 KB
- Series
- undefined series for scimag
- Category
- Article
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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