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Two-Photon Absorption and Two-Photon Circular Dichroism of Hexahelicene Derivatives: A Study of the Effect of the Nature of Intramolecular Charge Transfer. (Articolo in rivista)

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Two-Photon Absorption and Two-Photon Circular Dichroism of Hexahelicene Derivatives: A Study of the Effect of the Nature of Intramolecular Charge Transfer. (Articolo in rivista) (literal)

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C. Díaz, Y. Vesga, L. Echevarria, I. G. Stará, I. Starý, E. Anger, C. Shen, M. El Sayed Moussa, N. Vanthuyne, J. Crassous, A. Rizzo, F. E. Hernández (2015)
Two-Photon Absorption and Two-Photon Circular Dichroism of Hexahelicene Derivatives: A Study of the Effect of the Nature of Intramolecular Charge Transfer.
in RSC advances
(literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

C. Díaz, Y. Vesga, L. Echevarria, I. G. Stará, I. Starý, E. Anger, C. Shen, M. El Sayed Moussa, N. Vanthuyne, J. Crassous, A. Rizzo, F. E. Hernández (literal)

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Department of Chemistry, University of Central Florida, P. O. Box 162366, Orlando, Florida 32816-2366, USA Departamento de Química, Universidad Simón Bolívar, Caracas 1020A, Venezuela Institute of Organic Chemistry and Biochemistry ASCR, Flemingovo nám. 2, CZ-166 10 Prague 6, Czech Republic Sciences Chimiques de Rennes UMR 6226 CNRS, Universitè de Rennes 1, 35042 Rennes Cedex, France Aix Marseille Université, Centrale Marseille, CNRS, iSm2 UMR 7313, 13397, Marseille, France CNR - Consiglio Nazionale delle Ricerche, Istituto per i Processi Chimico Fisici (IPCF-CNR), UOS di Pisa, Area della Ricerca, Via G. Moruzzi 1, I-56124 Pisa, Italy The College of Optics and Photonics, CREOL, University of Central Florida, P. O. Box 162366, Orlando, Florida 32816-2366, USA (literal)

Titolo

Two-Photon Absorption and Two-Photon Circular Dichroism of Hexahelicene Derivatives: A Study of the Effect of the Nature of Intramolecular Charge Transfer. (literal)

Abstract

Herein we report on the theoretical-experimental analysis of the one- and two-photon absorption and circular dichroism spectra of two intrinsically chiral aromatic molecules - hexahelicene derivatives - with helical chirality and intramolecular charge transfer (ICT). The primary outcomes of our investigation demonstrate that the TPA cross-section and the amplitude of the TPCD signal of this type of helicenes are strongly affected by the strength of the ICT and the nature of the extension of the electronic delocalization, i.e. beyond (EXO-ICT) or within (ENDO-ICT) the helicene core. These results were corroborated through the comparative theoretical analysis of the corresponding contributions of the magnetic dipole transition moment and the electric quadrupole transition moment to the TPA rotatory strength on a series of five similar helicene derivatives with different molecular electron delocalization disposition. Two-photon absorption (TPA) and two-photon circular dichroism (TPCD) spectra were obtained using the double L-scan technique over a broad spectral range (400-900 nm) using 90 fs pulses at a low repetition rate (2-50 Hz) produced by an amplified femtosecond system. The theoretical simulations were performed using modern analytical response theory within the Time-Dependent Density Functional Theory (TD-DFT) approach using B3LYP and CAM-B3LYP, and the aug-cc-pVDZ and 6-311++G(d,p) basis sets. (literal)

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