Table 1.

Lowest energy transition (λ_max) for the compound studied, in DCM, as measured experimentally and calculated using TD-DFT.

Compound	Experimental		Calculated
			B3LYP			CAM-B3LYP
	nm	eV	nm	eV	eVexpt–eVb3lyp	nm	eV	eVexpt–eVcam-b3lyp
1A	487	2.55	533	2.33	0.22	452	2.74	−0.20
2A	509	2.44	607	2.04	0.39	487	2.55	−0.11
3A	508	2.44	664	1.87	0.57	508	2.44	0.00
4A	467	2.66	480	2.58	0.07	385	3.22	−0.57
1B	494	2.51	522	2.38	0.13	422	2.94	−0.43
2B	517	2.40	596	2.08	0.32	452	2.74	−0.34
3B	519	2.39	656	1.89	0.50	508	2.44	−0.05
4B	473	2.62	491	2.53	0.10	392	3.16	−0.54