title: Vibrational dynamics and structural investigation of 2,2'-dipyridylketone using Raman, IR and UV-visible spectroscopy aided by ab initio and density functional theory calculation.
abstract: Detailed investigation on the vibrational and electronic spectra has been carried out in order to study various properties of 2,2'-dipyridylketone molecule in its ground and excited electronic states. To get insight into the structural and symmetry features of the molecule, Raman excitation profiles of several normal modes have been analyzed. The polarized Raman spectra in different environments along with their IR counterpart have been critically surveyed and different normal modes have been assigned. The knowledge in regard to the positions of different excited electronic states has been acquired from the study of electronic absorption spectra. All the experimental observations have been substantiated and corroborated theoretically by the quantum chemical calculation. Possibility of exciton splitting of the 1La band has been explored both from theoretical and experimental points of view.
authors.affiliation: Department of Physics, Gobardanga Hindu College, 24-Parganas(N) 743 273, India. pinakysett@rediffmail.com
authors.forename: Pinaky
authors.initials: P
authors.lastname: Sett
authors.forename: Tumpa
authors.initials: T
authors.lastname: Mishra
authors.forename: Joydeep
authors.initials: J
authors.lastname: Chowdhury
authors.forename: Manas
authors.initials: M
authors.lastname: Ghosh
authors.forename: Subrato
authors.initials: S
authors.lastname: Chattopadhyay
authors.forename: Susil
authors.initials: S
authors.lastname: Kumar Sarkar
authors.forename: Prabal
authors.initials: P
authors.lastname: Kumar Mallick