Synthesis, Structural, Spectroscopic, and Hirshfeld Surface Analysis, and DFT Investigation of Benzaldehyde Semicarbazone

Table 6

BDSC electronic absorption spectrum values, both experimental and theoretical.

Excited state	Wavelength (λ) nm		Excitation energies (eV)	Oscillator strength (f)	Major contribution	Assignment
	Theoretical	Experimental
S1	296.17	—	4.1863	0.7720	H ⟶ L (98%)
S2	267.72	—	4.6311	0.0073	H-1 ⟶ L-1 (97%)
S3	231.76	195	5.3497	0.2286	H-2 ⟶ L-1 (86%)