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Bond and molecular polarizabilities in the reactivity studies of uracil and its substituents
D V Subbaiah1, M S Sastry, V R Murthy
1Department of Physics, Sri Krishnadevaraya University, Anantapur, India.
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.
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