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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Intramolecular Cooperative Effects in Multichromophoric Cavitands Exhibiting Nonlinear Optical Properties

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Csok, Zsolt [1] ; Szuroczki, Peter [2, 3] ; Kollar, Laszlo [2, 3, 4] ; Ngo, Hoang Minh [5] ; Ledoux-Rak, Isabelle [5] ; Caturello, Naidel A. M. S. [1] ; Albuquerque, Rodrigo Q. [1]
Total Authors: 7
[1] Univ Sao Paulo, Sao Carlos Inst Chem, BR-13560970 Sao Carlos, SP - Brazil
[2] Univ Pecs, Dept Inorgan Chem, H-7624 Pecs - Hungary
[3] Univ Pecs, MTA PTE Res Grp Select Chem Synth, H-7624 Pecs - Hungary
[4] Janos Szentagothai Res Ctr, H-7624 Pecs - Hungary
[5] Hoang Minh Ngo, Ecole Normale Super, Quantum & Mol Photon Lab LPQM ENS, F-94230 Cachan - France
Total Affiliations: 5
Document type: Journal article
Source: Journal of Physical Chemistry C; v. 119, n. 22, p. 12608-12615, JUN 4 2015.
Web of Science Citations: 3

We report on the design, synthesis, and characterization of a new class of multichromophoric cavitands based on resorcin{[}4]arenes. The novel compounds have exhibited high values of second-order nonlinear, optical (NLO) properties, as evidenced by electric-field-induced second harmonic generation (EFISHG) measurements. Theoretical calculations indicate the presence of edge-to-face T-shaped interactions between the aromatic building blocks within these multichromophoric systems, which is further supported by the detection of hypsochromic shifts in UV-vis and upfield aromatic chemical shifts, in H-1 NMR. We proved for the first time that the gain in the quadratic hyperpolarizabilities of multichromophoric NLO macrocycles, originating from the near parallel orientations of the subchromophores, can be partially suppressed if the distance between the dipolar subunits falls into a specific range, where intramolecular cooperative and/or collective effects are operative. Our finding will contribute to the better understanding of the phenomenon of cooperativity hi new molecular materials with promising NLO properties. (AU)

FAPESP's process: 14/02071-5 - Theoretical investigation of the aggregation of cationic complexes of Ir(III) with potential application in LECs and OLEDs
Grantee:Rodrigo Queiroz de Albuquerque
Support type: Regular Research Grants