Theoretical studies on triplet formations in nitrobenzoxadiazole (NBD) derivatives: The impact of donor group and heteroatom substitution

Revisiting the non-fluorescence of nitroaromatics: presumption versus reality

“…On the other hand, in the IBF chromophores the furan moiety acts as an electron-donor and the electron distribution in the excited state is completely different. 94 In contrast to fluorescent NBD 29 , the IBF analogue 31 shows a much weaker fluorescence response, whereas the methoxy derivative 30 shows intense fluorescence (Table 10). Both spectroscopic and computational studies suggest that, for NBD, the ISC relaxation pathway is not typical, even in nonpolar solvents.…”

“…For this reason, three features that affect both the absorption and fluorescence properties must be considered. 93,94 Moreover, modification at the 2-position with heteroatoms from group 16 other than oxygen does not significantly affect the chromophore character. 93,95 To study the influence of nitrogen atoms, the NBD chromophore was compared with the analogous structure based on an electron-rich core (Fig.…”