Transition metals of arene derivatives with functionalized ionic liquid: DFT investigation, biological applications and electrochemical behavior of complexes

Mononuclear transition metal complexes based on ionic liquid have been prepared and the biological properties of the three complexes were evaluated using radical scavenging activity, reducing power, antibacterial effect, DNA binding and cleavage activity. Furthermore, all complexes were determined to have DNA binding and cleavage activities. Moreover, theoretical DFT computations have also been carried out for the cationic complexes to obtain minimum energy configuration of molecules. The effects of the chemical structures of three cationic complex were also studied in relation to the variable property of electron-donating ligands for ruthenium-based complexes and iridium complex and their potential energy levels in ground and excited states HOMO and LUMO were determined.