کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
229771 | 465046 | 2013 | 9 صفحه PDF | دانلود رایگان |
The electronic absorption spectra of different pyrimidine derivatives have been measured experimentally and calculated theoretically by the PPP and CNDO/S methods. These pyrimidine derivatives are: 4,6-dichloro-pyrimidine (I), 4,6-dichloro, 5-amino-pyrimidine (II), 2,4,6-trichloro-pyrimidine (III), 4,6-dihxdroxy-pyrimidine (IV), 4,6-dihxdroxy-5-nitro-pyrimidine (V), 2,4-diamino-pyrimidine (VI), 2,4-diamino-6-hydroxy-pyrimidine (VII), 2,4-dihydroxy-5-carboxy-pyrimidine (VIII), 2,4-dimethyl-6-hydroxy-pyrimidine (IX), 5-nitro-uracil (X), and orotic acid (XI). The observed electronic spectral shifts are quantitatively analyzed in relation to different solute–solvent interaction mechanisms. The effects of solvent polarity and hydrogen bonding on the spectra are discussed in the light of theoretical predictions. This comparative analysis provides a reasonable picture of the solvent effects on the absorption spectral properties of pyrimidine nucleobases.
Journal: Journal of Saudi Chemical Society - Volume 17, Issue 1, January 2013, Pages 87–95