Electronic Absorption Spectra of Some Triazolopyrimidine Derivatives

Table 6

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

State	Configuration	Type	Assignment	∆E, eV
				Obs.	Calc.
I	62-63	π-π*	Delocalized band	3.49	3.43
II	62–64	π-π*	Delocalized band	3.96	3.80
III	61–63	π-π*	CT: N- aryl → Triazolo-pyrimidine	4.71	4.71
IV	61–63	π-π*	CT: N- aryl → Triazolo-pyrimidine	5.51	5.44