Table 1.

Spectroscopic and energetic data for compound 1.

λmax(Abs)a	λmax(Em)a	ɛa	E0–0b	EHOMO		ELUMO
nm	nm	M−1 cm−1	eV	(V versus NHE)c	eVd	(V versus NHE)e	eVe
436	572	29 300	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 CH₃CN.

^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.