Abstract
The present work shows a computational study of a host-guest interaction between the ligands: Compounds I (2,9-di(2-methylamino-ethyleneamine)-1,10-phenanthroline), Compound II (2,9-di (3 -methylamino-propylamine)-1,10-phenanthroline.) and the metal ions Cu (II) and Zn (II). With the help of a software (Hiperchem 8) Compounds I, II were drawn, the optimal geometries were obtained, and a semi-empirical method (Polak Ribiere) was applied. Total Energies of Compounds I, II and binding energies were obtained.
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