Results and discussion
Molecular electrostatic potential maps (MEPs) are very helpful in
identifying the electron deficient and electron rich areas in molecules
and have been employed extensively in several studies [11.
Mottishaw, J. D., Erck, A. R., Kramer, J. H., Sun, H., Koppang, M.J. Chem. Educ . 2015 , 92, 1846–1852.,22.
Khan, I., Panini, P., Ud-Din Khan, S., Rana, U. A., Andleeb, H.,
Chopra, D., Hameed, S., Simpson, J. Cryst. Growth Des .2016 , 16, 1371–1386.]. The molecular electrostatic
potentials have been calculated to investigate the influence of cation
binding on the properties of hydrogen bonds in considered systems.
Figure 1 show electrostatic potential map for isolated adenine and
guanine. One can see that the basins of negative potential are located
around N3 and N7, and O6 atoms of guanine and N3 and N7, and N1 atoms of
adenine.