A DFT Study of Some Structural and Spectral Properties of 4-Methoxyacetophenone Thiosemicarbazone and Its Complexes with Some Transition Metal Chlorides: Potent Antimicrobial Agents

Table 2

Binding energies (, kcal/mol), enthalpies (, kcal/mol), and Gibbs free energies (, kcal/mol) of complex formation between A1 and some transition metal chlorides at room temperature.

Property	Transition metal ion [M(II)] present in complex
	Ni^2+	Pd^2+	Pt^2+	Zn^2+
	−35.23	−37.99	−42.81	−3.18
	−35.83	−38.59	−43.40	−3.77
	−21.00	−24.07	−27.65	7.22