Combination of Transient 2D-IR Experiments and Ab Initio Computations Sheds Light on the Formation of the Charge-Transfer State in Photoexcited Carbonyl Carotenoids

Year: 2014

Authors: Di Donato M., Segado Centellas M., Lapini A., Lima M., Avila F., Santoro F., Cappelli C., Righini R.

Autors Affiliation: LENS (European Laboratory for Nonlinear Spectroscopy) via N. Carrara 1, 50019 Sesto Fiorentino (FI), Italy; INO (Istituto Nazionale di Ottica), Largo Fermi 6, 50125 Firenze, Italy; Dipartimento di Chimica “Ugo Schiff”, Università di Firenze, via della Lastruccia 13, 50019 Sesto Fiorentino (FI), Italy, Scuola Normale Superiore, Piazza dei Cavalieri 7, I-56126 Pisa, Italy; Dipartimento di Chimica e Chimica Industriale, Università di Pisa, via Risorgimento 35, I-56126 Pisa, Italy, CNR-Consiglio Nazionale delle Ricerche, Istituto di Chimica dei Composti Organo Metallici (ICCOM-CNR), UOS di Pisa, Area della Ricerca, via G. Moruzzi 1, I-56124 Pisa, Italy, University of Málaga, Physical Chemistry, Faculty of Science, Málaga, 29071, Spain

Abstract: The excited state dynamics of carbonyl carotenoids is very complex because of the coupling of single- and doubly excited states and the possible involvement of intramolecular charge-transfer (ICT) states. In this contribution we employ ultrafast infrared spectroscopy and theoretical computations to investigate the relaxation dynamics of trans-8


Volume: 118      Pages from: 9613  to: 9630

More Information: The authors acknowledge the Italian \”Ministero dell\’Istruzione e della Ricerca\’ (FIRB \”Futuro in Ricerca\” 2010, RBFR10Y5VW to M.D.D. and C.C.; PRIN 2010-2011 2010ERFKXL \”Frontiers studies in molecular spectroscopy and dynamics: from simple molecular systems to supramolecular aggregates and advanced materials\” to F.S. and R.R.). A.L. acknowledges the financial support of the Regione Toscana through the found POR-FSE 2007-2013 obiettivo 2 asse IV, Project EPHODS. F.A. acknowledges support from EU People Program, Marie Curie Actions (G.A. No. 246550). The financial support of the Cassa di Risparmio di Firenze is also gratefully acknowledged. C.C. acknowledges support from COST (Action CODECS: COnvergent Distributed Environment for Computational Spectroscopy). The authors thank R. Improta (IBB-CNR, Napoli) and C. Angeli (University of Ferrara) for fruitful discussions.
KeyWords: ca; DFT; multiconfigurational perturbation-theor; peridin-chlorophyll-protein; internal-conversion lifetime
DOI: 10.1021/jp505473j

Citations: 14
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