Journal of Chemical Physics, Vol.106, No.13, 5379-5392, 1997
Vibrational Spectroscopy of CH/NH Stretches in Pyrrole - An Algebraic Approach
The complete vibrational spectroscopy of pyrrole is addressed within the one-dimensional algebraic framework. Particular attention is devoted to the study of the CH/NH stretching levels, including their possible anharmonic resonance mechanisms with other ring modes.
Keywords:OVERTONE SPECTROSCOPY;SUBSTITUTED BENZENES;FORCE-FIELD;DYNAMICS;SPECTRA;BANDS;MODEL;RELAXATION;MOLECULES;FURAN