Metal Ion Selectivity of Kojate Complexes: A Theoretical Study

Table 3

HOMO and LUMO plots, along with their energies (eV), for the 1 : 2 complexes.

	HOMO	LUMO
Mn(II)	−4.079	−2.428
Co(II)	−3.983	−2.591
Ni(II)	−4.118	−2.308
Cu(II)	−4.628	−3.352
Zn(II)	−4.993	−2.257
Cd(II)	−4.936	−2.182
Hg(II)	−4.986	−2.256