Dipole moment (μ_o), mean polarizabilities (α_o), mean first hyperpolarizabilities (β_o), and ratios of hyperpolarizabilities of ligand–metal isomers calculated at CAM-B3LYP/6-31G+(d,p) level.

Complexes	μ o (Debye)	α o (a.u.)	β o (a.u.)	State	Ratio (ON/OFF)
1a	7.82	83	158	OFF
1b	10.61	88	192	ON	1.21
2a	5.48	138	828	ON	4.78
2b	7.23	137	173	OFF
3a	5.35	165	3662	ON	21.15
3b	5.94	140	431	OFF
4a	11.67	134	390	OFF
4b	2.10	165	4184	ON	10.71