Table 7.

Gibbs Free Energies of SET–PT Mechanism. [kcal/mol].

${\mathbf{H}}_{\mathbf{n}}\mathbf{X}+{\mathbf{R}}^{•}\to {\mathbf{H}}_{\mathbf{n}}{\mathbf{X}}^{•+}+{\mathbf{R}}^{-}.$ ${\mathbf{H}}_{\mathbf{n}}{\mathbf{X}}^{•+}+{\mathbf{R}}^{-}\to {\mathbf{H}}_{\mathbf{n}-1}{\mathbf{X}}^{•}+\mathbf{RH}$
Compound	aIP		PDE	${\mathbf{OH}}^{•}$		${\mathbf{OOH}}^{•}$		${\mathbf{O}}_2^{•-}$ †		${\mathbf{NO}}^{•}$
				ET	PT	ET	PT	ET	PT	ET	PT
Betanidin	99.2	C5″′	11.3	−4.6	−41.4	17.6	−30.8	69.8	−98.0	68.6	−45.5
		C6″	16.7		−36.1		−25.5		−87.6		−40.2
Betaxanthin	97.7	C4″	20.4	−6.6	−31.5	15.6	−20.9	67.7	−78.3	66.6	−35.6

^† The values are presented as the energy of the reaction ${2\mathrm{H}}_{\mathrm{n}}{\mathrm{X}}^{•+}+{\mathrm{O}}_2^{2-}\to 2{\mathrm{H}}_{\mathrm{n}-1}{\mathrm{X}}^{•}+{\mathrm{H}}_2{\mathrm{O}}_2.$