FTIR Spectra of some Pyrimidine Derivatives: AM1, PM3 and Ab Initio Calculations

Ghassan Younes; Gehan El Subruiti; Ahmed Hasanein

doi:10.4028/www.scientific.net/AMR.324.332

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HomeAdvanced Materials ResearchAdvanced Materials Research Vol. 324FTIR Spectra of some Pyrimidine Derivatives: AM1,...

FTIR Spectra of some Pyrimidine Derivatives: AM1, PM3 and Ab Initio Calculations

Abstract:

Abstract. FTIR spectra of some pyrimidine derivatives have been measured experimentally and the observed FTIR vibrational frequencies have been assigned and reported. The different vibrational frequencies have been calculated by the AM1, PM3, and ab initio methods and compared with the experimentally observed frequencies .