Retinal chromophore photoinduced molecular motion and reactivity: Isolated conditions and counterion effects

Marco Garavelli, Fernando Bernardi, Alessandro Cembran, Massimo Olivucci

Research output: Contribution to journalArticle

Abstract

Recent, work in the field of biological photoreceptors has demonstrated that computational chemistry can be successfully applied to ultrafast photobiological problems. Here we revise the results of the photoisomerization path mapping of the protonated Schiff base of retinal: the chromophore of rhodopsin proteins. These studies have produced the two-state/two-mode model which provides a rationale for the photon-induced molecular motion in the isolated retinal chromophore. Such model represents a substantial revision of the previous models for the primary event in vision in animals and light driven proton-pumping in halobacteriae. New computational results will be presented, which model the effects of an external counterfoil on the photoisomerization paths. Energetic, electronic, stereoselectivity control and tuning-effects will be analyzed and discussed in terms of counterfoil positions. Both solution and protein experimental data are revised using the new reactivity model.

Original languageEnglish (US)
Pages (from-to)431-439
Number of pages9
JournalJournal of Computational Methods in Sciences and Engineering
Volume2
Issue number3-4
DOIs
StatePublished - Jan 1 2002

Keywords

  • Ab-Initio
  • CASPT2
  • CASSCF
  • Computational Photochemistry
  • Photoisomerization
  • Protonated Schiff Bases
  • Retinal

Fingerprint Dive into the research topics of 'Retinal chromophore photoinduced molecular motion and reactivity: Isolated conditions and counterion effects'. Together they form a unique fingerprint.

Cite this