Synthesis, Characterization, and Quantum Chemical Studies of Ru(phen)₂Cl₂.2H₂O and Ru(bipy)₂Cl₂.2H₂O With 2,6-Diacetylpyridinedihydrazone

Abstract

The mixed-ligand complexes of Ru(phen)₂Cl₂.2H₂O and Ru(bipy)₂Cl₂.2H₂O with 2,6-diacetylpyridinedihydrazone were prepared and characterized using elemental analyses and spectroscopic techniques. Semi-empirical (PM3) and ab initio (HF/3-21G*) methods were used for the calculations of geometries, heat of formation, binding and stabilization energies. The elemental analyses were satisfactory when compared with the calculated values. The infrared and UV-Vis spectra as well as the fragmentation patterns in the mass spectra were consistent with octahedral Ru(II) complex. The conductivity measurements confirmed the 1:2 electrolyte nature of the complexes. The theoretical studies revealed higher stabilization and binding energies for the [Ru(phen)₂L]²⁺ species which indicated that it is thermodynamically more stable.

Keywords:

• mixed-ligand
• electrolyte
• transitions
• conductivity
• mass spectroscopy

Acknowledgments

F. A. O. Adekunle is grateful to Professor Dipankar Datta of Indian Association for the Cultivation of Science (IACS), Calcutta, India, for a laboratory space.

He is also grateful to Third World Academy of Science (TWAS), Trieste, Italy, and Indian Association for the Cultivation of Science for a Post-Doctoral Fellowship.