New binary chelates derived from ligands (L1 and L2) were synthesized by tribochemical reaction in the solid state. The isolated chelates are characterized by chemical, spectral (IR, UV-Visible, 1H-NMR, mass) and magnetic methods. IR data suggest that the ligands (L1 and L2) behave in a bidentate manner via the phenolic OH and the CO (carboxylate) groups without displacement of a hydrogen atom from the carboxylate and/or the phenolic groups. The geometries of the isolated solid complexes were illustrated by spectral and magnetic data and confirmed by material studio program. DFT calculations suggest the most suitable geometry as well as the stability of the complexes. The bond lengths, bond angles, chemical reactivity, binding energies and dipole moments for all compounds were evaluated using density functional theory and molecular electrostatic potential for L1 and L1. The mass spectra of some metal chelates illustrate that these compounds are existed as dimer. Some chelates were tested against fungi and bacteria. Also, the ligands and some of their complexes were tested as anticancer using MCF-7 cells (human breast cancer cell line) and HepG-2 cells (human Hepatocellular carcinoma).