%0 Journal Article %T Vibrational and Electronic Spectra of 2-Phenyl-2-Imidazoline: A Combined Experimental and Theoretical Study %A Yeddu Sushma Priya %A Kokkiripati Ramachandra Rao %A Pallavajhula Venkata Chalapathi %A Adamilli Veeraiah %J Journal of Modern Physics %P 753-774 %@ 2153-120X %D 2018 %I Scientific Research Publishing %R 10.4236/jmp.2018.94049 %X The structural properties and vibrational frequencies of 2-phenyl-2-imidazoline have been investigated using theoretical and techniques by which a good correlation was observed. The assignments of the vibrational modes were performed with the help of normal co-ordinate analysis following the Scaled Quantum Mechanical Force Field methodology. Natural bond orbital analysis and the highest occupied molecular orbital-lowest unoccupied molecular orbital gap analysis have been carried out. UV-visible spectrum of the compound was recorded and compared with the theoretical UV-visible spectrum of the title molecule using Symmetry Adapted Cluster-Configuration Interaction method which yielded good agreement. Our results reflect that the title compound can be used as good source of UV light. %K 2-Phenyl-2-Imidazoline %K DFT %K FT-IR %K FT-RAMAN %K NBO %K HOMO and LUMO %U http://www.scirp.org/journal/PaperInformation.aspx?PaperID=83534