Bond and molecular polarizabilities in the reactivity studies of uracil and its substituents.
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.
Subbaiah
D V
DV
Department of Physics, Sri Krishnadevaraya University, Anantapur, India.
Sastry
M S
MS
Murthy
V R
VR
D008433:Mathematics; D008962:Models, Theoretical; D008968:Molecular Conformation; D014498:Uracil / Q000031:analogs & derivatives* / Q000737:chemistry*
D014498:Uracil