In the present work IR, UV absorption and Raman spectra including Raman excitation profiles and structure of 3-benzoyl pyridine have been investigated. Detailed studies on the vibrational and electronic properties… Click to show full abstract
In the present work IR, UV absorption and Raman spectra including Raman excitation profiles and structure of 3-benzoyl pyridine have been investigated. Detailed studies on the vibrational and electronic properties of the molecule have been carried out. All these studies are aided with valuable quantum chemical calculations. The structural changes encountered on excitation to the low lying excited states have been investigated. Theoretical profiles determined by the sum-over-states method based on pertinent Franck–Condon and Herzberg–Teller terms have satisfactorily simulated the experimentally measured relative Raman intensities and these are also in compliance with the structural changes and potential energy distributions.
               
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