Spectral Characterization and 3D Molecular Modeling Studies of Metal Complexes Involving the O, N-Donor Environment of Quinazoline-4(3H)-one Schiff Base and Their Biological Studies

Table 3

Ligand field, Sinha, metal-ligand covalency percent, and covalency angular overlap parameters of Cu(II), Ni(II), Co(II), and Mn(II) complexes.

Complexes	Dq	𝐵^′	β	β%	𝜈2/𝜈1	(1−𝛽)	𝑏^1/2	δ%	𝜂	LFSC (Kcal)
[Cu(C20H14N3O2)2]	1514	—	—	—	—	—	—	—	—	25.25
[Ni(C20H14N3O2)2]	930	891	0.91	8.2	1.92	0.09	0.15	9.89	0.31	15.94
[Co(C20H14N3O2)2]	941	819	0.84	15.6	1.93	0.16	0.20	19.04	0.43	16.13
[Mn(C20H14N3O2)2]	912	944	0.97	2.7	1.87	0.03	0.08	3.09	0.17	15.63