Novel heteroleptic complexes of titanium(IV) derived from 2-hydroxyacetophenone: synthesis, characterization, antibacterial and molecular docking studies

A few new and versatile complexes of titanium( IV) derived from 2-hydroxyacetophenone of the types {[(Ap)Ti(OPri)(2-n)(L-2)(n)] (2a, 2e and 2f)}, {[(Ap)Ti(L1OR)(L-2)](2b-2d, 2g-2i)} have been synthesized by the reaction of the precursor [(Ap)Ti(OPri)(2)] with different 2-heteroaryl methyl ketone oximes and alkoxyalkanols in various molar ratios in refluxing toluene yielded mono nuclear heteroleptic derivatives, {where, n = 1-2, HAp = 2-hydroxyacetophenone, Pr-i = isopropyl, L-1 = O-CH2-CH2-, R = CH3, C2H5, C4H9 and HL2=HONC(Me)py-2, HONC(Me)fu-2}. All these newly synthesized complexes were characterized by elemental analysis, mass, UV, FT-IR and NMR (H-1, C-13) spectral studies. The mass spectra of the newly synthesized molecules indicate their monomeric state. Spectral studies suggest the bonding between metal and ligands in a tetra coordinated fashion. Thermogravimetric analyses indicate the multistep decomposition of complexes resulting TiO2 as the end product at 600 degrees C. Antibacterial activities of these complexes were also exercised. Complex 2e is equipotent to the standard drug against Pseudomonas aeruginosa and Escherichia coli. A keen molecular docking study revealed lesser docking scores of some of these complexes than that of the standard drug gentamicin.