DFT Studies of Caffeic Acid Antioxidant: Molecular Orbitals and Composite Reactivity Maps Correlation with Photophysical Characteristics and Photochemical Stability

Table 1

TD-DFT computed UV/Vis Allowed Transitions of CA (most strong only) in gas phase.

nm	Oscillator strength	MO component
307.30	0.5210	HOMO LUMO 91%
276.72	0.1404	HOMO-1 LUMO 77%
213.56	0.2156	HOMO-3 LUMO 72%