Table 4.

Maximum adsorption wavelength (${\mathrm{\lambda }}_{\max }$) in nm, the energy associated with maximum adsorption wavelength (${\mathrm{E}}_{\mathrm{\lambda }}$) in eV and absorbance of pristine and complex systems. This table has been taken from UV–Vis predicted spectra in ωB97X-D/6-31G(d,p) method.

Systems	Wavelength	Abs.	${\mathbf{E}}_{\mathrm{\lambda }}$
Pristine BN	205.35	14080.78	6.05
Complex A	182.6	13695.27	6.80
Sc-BN	202.36	10247.64	6.14
Complex B	221.24	6900.62	5.62
Ti-BN	220.74	12571.67	5.63
Complex C	221.74	2207.8	5.60
Pristine AlN	282.27	22378.71	4.40
Complex D	278.76	16774.3	4.46
Sc-AlN	254.81	11664.92	4.88
Complex E	259.01	14836.16	4.80
Ti–AlN	345.59	14373.63	3.59
Complex F	333.13	15053.93	3.73
Pristine AlP	337.35	1847.32	3.68
Complex G	318.19	1745.05	3.90
Sc-AlP	308.07	4045.5	4.03
Complex H	303.24	3330.09	4.10
Ti–AlP	330.55	804.82	3.76
Complex I	378.16	588.12	3.29