Bond and molecular polarizabilities in the structural studies ofcytosine and its substituents

摘要

Bond and molecular polarizabilities of cytosine and a few of itssubstituents are determined by force field technique andδ-function potential model. Interestingly, the longitudinal bondpolarizability coefficients of C₄-C₅,C₅-CH₃ bring out the aromatic nature of theC₅ X-ray and NMR observations, quantum chemical calculationsand UV photoelectron studies are discussed in relation to this. Theagreement is satisfactory