Fig. 3: Electronic and geometrical character of S1 relaxation in NeoR chromophore. | Nature Communications

Fig. 3: Electronic and geometrical character of S1 relaxation in NeoR chromophore.

From: Retinal chromophore charge delocalization and confinement explain the extreme photophysics of Neorhodopsin

Fig. 3: Electronic and geometrical character of S1 relaxation in NeoR chromophore.The alternative text for this image may have been generated using AI.

a Representation of the two limiting resonance formulas adopted to describe the electronic character of the rPSB chromophore. b Electron density variation (δρabs) characterizing the vertical S0→S1 transition from the Dark Adapted State (DA). Blue and red clouds correspond to electron density decrease and increase respectively. Isovalue set to 0.002 a.u. The associated resonance formulas correspond to resonance hybrids also anticipated in Fig. 1a. Blue bubbles represent the QM positive charge (in e unites). Only absolute values > 0.05 e are reported. As indicated by the red box, the total charge residing in the -C14-C15-N-Cε- rPSB fragment is also given. c Same data for the S1→S0 emission from the Fluorescent State (FS). d Geometrical comparison between DA and FS rPSB structures. The arrows indicate the dominant geometrical change corresponding, clearly, to a variation in the bond length alternation (BLA, see definition in the caption of Fig. 1) in a region of the conjugated chain distant from the Schiff base moiety. The relevant bond lengths are given in Å.

Back to article page