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International Journal of Spectroscopy
Volume 2011 (2011), Article ID 394948, 8 pages
Research Article

Electronic Absorption Spectra of Some Triazolopyrimidine Derivatives

1Chemistry Department, Faculty of Science, Cairo University, Giza 12613, Egypt
2Chemistry Department, Faculty of Education, Ain Shams University, Cairo 12613, Egypt

Received 2 December 2010; Revised 22 January 2011; Accepted 24 February 2011

Academic Editor: Linda B. McGown

Copyright © 2011 Hussein Moustafa et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


The electronic absorption spectra of triazolo pyrimidine and some of its derivatives were measured in polar as well as nonpolar solvents. Assignment of the observed transitions is facilitated via molecular orbital calculations. Charge density distributions, dipole moments, and the extent of delocalization of the MOS were used to interpret the observed solvent effects. The observed transitions are assigned as charge transfer (CT), localized, and delocalized according to the contribution of the various configurations in the CI-states. The correspondence between the calculated and experimental transition energies is satisfactory.