Table 1.

Spectroscopic and energetic data for compound 1.

λ max (Abs) a	λ max (Em) a	ε a	E 0-0 b	E HOMO		E LUMO
nm	nm	M−1·cm−1	eV	(V vs NHE) c	eVd	(V vs NHE)e	eVe
436	572	29300	2.39	+1.24	−5.82	−1.14	−3.43

^aSpectra measured at 5 μM in CH₃CN.

^b0-0 transition energy, E_0-0, estimated from the intercept of the normalized absorption and emission spectra in MeCN.

^cEstimated HOMO energy, E_HOMO, obtained from the ground-state oxidation potential.

^dHOMO energy in eV obtained from the redox potential related to Fc⁺/Fc with a calculated absolute energy of – 0.51 eV.⁴⁴

^eEstimated LUMO energy, E_LUMO, obtained from the estimated HOMO energy by adding the 0-0 transition energy, E_0-0.