A molecular orbital investigation of the dipole moments of the [formula omitted] and [formula omitted] conformers of purine and pyrimidine nucleosides

Abstract

Molecular orbital calculations predict that the nucleosides of adenine, cytosine, uracil, purine and xanthine should in general have a higher dipole moment in the anti than in the syn form. The reverse should be true for the nucleosides of guanine and hypoxanthine. The result depends primarily on the direction of the dipole moment in the free bases.