VIBRATIONAL FREQUENCIES OF PROLINE AND HYDROXYPROLINE - AN AB-INITIO STUDY

The vibrational frequencies of two conformations of proline and hydrox yproline in the non-ionized form have been evaluated using the ab init io method at the HF/4-21G level. The barrier heights of the rotation o f the carboxy and hydroxy hydrogen atoms have been evaluated at the HF /4-21G level. The calculated frequencies are assigned to the experimen tal vibrational spectra of proline and hydroxyproline.