Environmental effects on vibrational ...
Type de document :
Article dans une revue scientifique: Article original
DOI :
Titre :
Environmental effects on vibrational properties of carotenoids: experiments and calculations on peridinin
Auteur(s) :
Bovi, D. [Auteur]
Mezzetti, A. [Auteur correspondant]
Service de Bioénergétique, Biologie Stucturale, et Mécanismes [SB2SM]
Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 [LASIRE]
Vuilleumier, R. [Auteur]
Université Pierre et Marie Curie - Paris 6 [UPMC]
Département de Chimie - ENS-PSL
Gaigeot, M.P. [Auteur]
Institut universitaire de France [IUF]
Laboratoire Analyse et Modélisation pour la Biologie et l'Environnement [LAMBE]
Chazallon, Bertrand [Auteur]
Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Spezia, R. [Auteur correspondant]
Laboratoire Analyse et Modélisation pour la Biologie et l'Environnement [LAMBE]
Guidoni, L. [Auteur correspondant]
Mezzetti, A. [Auteur correspondant]
Service de Bioénergétique, Biologie Stucturale, et Mécanismes [SB2SM]
Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 [LASIRE]
Vuilleumier, R. [Auteur]
Université Pierre et Marie Curie - Paris 6 [UPMC]
Département de Chimie - ENS-PSL
Gaigeot, M.P. [Auteur]
Institut universitaire de France [IUF]
Laboratoire Analyse et Modélisation pour la Biologie et l'Environnement [LAMBE]
Chazallon, Bertrand [Auteur]

Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Spezia, R. [Auteur correspondant]
Laboratoire Analyse et Modélisation pour la Biologie et l'Environnement [LAMBE]
Guidoni, L. [Auteur correspondant]
Titre de la revue :
Physical Chemistry Chemical Physics
Pagination :
20954-20964
Éditeur :
Royal Society of Chemistry
Date de publication :
2011
ISSN :
1463-9076
Discipline(s) HAL :
Chimie/Chimie théorique et/ou physique
Résumé en anglais : [en]
Carotenoids are employed in light-harvesting complexes of dinoflagellates with the two-fold aim to extend the spectral range of the antenna and to protect it from radiation damage. We have studied the effect of the environment ...
Lire la suite >Carotenoids are employed in light-harvesting complexes of dinoflagellates with the two-fold aim to extend the spectral range of the antenna and to protect it from radiation damage. We have studied the effect of the environment on the vibrational properties of the carotenoid peridinin in different solvents by means of vibrational spectroscopies and QM/MM molecular dynamics simulations. Three prototypical solvents were considered: cyclohexane (an apolar/aprotic solvent), deuterated acetonitrile (a polar/aprotic solvent) and methanol (a polar/protic solvent). Thanks to effective normal mode analysis, we were able to assign the experimental Raman and IR bands and to clarify the effect of the solvent on band shifts. In the 1500-1650 cm<sup>−1</sup> region, seven vibrational modes of the polyene chain were identified and assigned to specific molecular vibrations. In the 1700-1800 cm<sup>−1</sup> region a strong progressive down-shift of the lactonic carbonyl frequency is observed passing from cyclohexane to methanol solutions. This has been rationalized here in terms of solvent polarity and solute-solvent hydrogen bond interactions. On the basis of our data we propose a classification of non-equivalent peridinins in the Peridinin-Chlorophyll-Proteins, light-harvesting complexes of dinoflagellates.Lire moins >
Lire la suite >Carotenoids are employed in light-harvesting complexes of dinoflagellates with the two-fold aim to extend the spectral range of the antenna and to protect it from radiation damage. We have studied the effect of the environment on the vibrational properties of the carotenoid peridinin in different solvents by means of vibrational spectroscopies and QM/MM molecular dynamics simulations. Three prototypical solvents were considered: cyclohexane (an apolar/aprotic solvent), deuterated acetonitrile (a polar/aprotic solvent) and methanol (a polar/protic solvent). Thanks to effective normal mode analysis, we were able to assign the experimental Raman and IR bands and to clarify the effect of the solvent on band shifts. In the 1500-1650 cm<sup>−1</sup> region, seven vibrational modes of the polyene chain were identified and assigned to specific molecular vibrations. In the 1700-1800 cm<sup>−1</sup> region a strong progressive down-shift of the lactonic carbonyl frequency is observed passing from cyclohexane to methanol solutions. This has been rationalized here in terms of solvent polarity and solute-solvent hydrogen bond interactions. On the basis of our data we propose a classification of non-equivalent peridinins in the Peridinin-Chlorophyll-Proteins, light-harvesting complexes of dinoflagellates.Lire moins >
Langue :
Anglais
Comité de lecture :
Oui
Audience :
Internationale
Vulgarisation :
Non
Source :