Electronic Absorption Spectra of Some Triazolopyrimidine Derivatives

Table 4

State energies, configurations, type of transition, and assignment of all transitions for 3-Acetyl-1-p-tolyl-1H-[1, 2, 4] triazolo [3, 4-b] quinazolin-5-one.

State	Configuration	Type	Assignment	∆E, eV
				Obs.	Calc.
I	59-60	π-π*	Delocalized band	3.30	3.34
	59–61	π-π*	Delocalized band
II	59-60	π-π*	Delocalized band	3.82	3.80
III	59–61	π-π*	Delocalized band	4.51	4.53
IV	58–61	π-π*	CT: N- aryl → Triazolo-pyrimidine,	5.51	5.54
	57–61	π-π*	CT: N- aryl → Triazolo-pyrimidine