@article {27322,
	title = {Retinal chromophore charge delocalization and confinement explain the extreme photophysics of Neorhodopsin},
	journal = {Nature Communications},
	volume = {13},
	number = {1},
	year = {2022},
	note = {Export Date: 06 April 2024; Cited By: 14},
	month = {2022},
	abstract = {The understanding of how the rhodopsin sequence can be modified to exactly modulate the spectroscopic properties of its retinal chromophore, is a prerequisite for the rational design of more effective optogenetic tools. One key problem is that of establishing the rules to be satisfied for achieving highly fluorescent rhodopsins with a near infrared absorption. In the present paper we use multi-configurational quantum chemistry to construct a computer model of a recently discovered natural rhodopsin, Neorhodopsin, displaying exactly such properties. We show that the model, that successfully replicates the relevant experimental observables, unveils a geometrical and electronic structure of the chromophore featuring a highly diffuse charge distribution along its conjugated chain. The same model reveals that a charge confinement process occurring along the chromophore excited state isomerization coordinate, is the primary cause of the observed fluorescence enhancement. {\textcopyright} 2022, The Author(s).},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85141370303\&doi=10.1038\%2fs41467-022-33953-y\&partnerID=40\&md5=b278003b0651f2ca7d71225cf740f10d},
	author = {Palombo, R. and Barneschi, L. and Pedraza-Gonz{\'a}lez, L. and Padula, D. and Schapiro, I. and Olivucci, M.}
}
