title: Bond and molecular polarizabilities in the reactivity studies of uracil and its substituents.
abstract: Bond and molecular polarizabilities of uracil and its substituents are determined by molecular vibration and quantum mechanical delta-function potential model. The longitudinal bond polarizability coefficients of C4-C5, C5-CH3 and C5-NO2 bonds confirm that position 5 is partially aromatic while position 4 is aliphatic with reference to the reactivity nature of carbon atoms in uracil. The results are discussed in relation to experimental and theoretical results.
authors.affiliation: Department of Physics, Sri Krishnadevaraya University, Anantapur, India.
authors.forename: D V
authors.initials: DV
authors.lastname: Subbaiah
authors.forename: M S
authors.initials: MS
authors.lastname: Sastry
authors.forename: V R
authors.initials: VR
authors.lastname: Murthy
mesh_terms: D008433:Mathematics; D008962:Models, Theoretical; D008968:Molecular Conformation; D014498:Uracil / Q000031:analogs & derivatives* / Q000737:chemistry*
chemical_list: D014498:Uracil