DFT Study on tautomerism of cytosine and its 5-haloderivatives: A Review*

Abstract

This review shows a short compendium of the structures of cytosine and its tautomeric forms and the effect of hydration on their geometries. The homo-and hetero-dimer forms were also included, with special attention to the guaninecytosine pair. The tautomerism on monosubstituted 5-haloderivatives of cytosine was also studied. The importance and main applications of these molecules are also briefly indicated, together with their geometries.