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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.)

First molecular electronic hyperpolarizability of series of pi-conjugated oxazole dyes in solution: an experimental and theoretical study

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Author(s):
Abegao, Luis M. G. [1, 2] ; Fonseca, Ruben D. [3, 4] ; Santos, Francisco A. [1] ; Rodrigues Jr, Jose J. ; Kamada, Kenji [5] ; Mendonca, Cleber R. [3] ; Piguel, Sandrine [6, 7] ; De Boni, Leonardo [3]
Total Authors: 8
Affiliation:
[1] Univ Fed Sergipe, Dept Fis, BR-49100000 Sao Cristovao, SE - Brazil
[2] Yale Univ, Sch Med, Dept Radiol & Bioimaging, 300 Cedar St, New Haven, CT 06520 - USA
[3] Univ Sao Paulo, Inst Fis Sao Carlos, CP 369, BR-13560970 Sao Carlos, SP - Brazil
[4] Univ Popular Cesar, Dept Fis, Valledupar 2000004, Cesar - Colombia
[5] Natl Inst Adv Ind Sci & Technol, Ikeda, Osaka 5638577 - Japan
[6] Univ Paris Saclay, Univ Paris Sud, F-91405 Orsay - France
[7] PSL Res Univ, CNRS, Inst Curie, INSERM, UMR9187 U1196, F-91405 Orsay - France
Total Affiliations: 7
Document type: Journal article
Source: RSC ADVANCES; v. 9, n. 45, p. 26476-26482, AUG 22 2019.
Web of Science Citations: 2
Abstract

In this work, we report the experimental and theoretical first molecular electronic hyperpolarizability (beta(HRS)) of eleven pi-conjugated oxazoles compounds in toluene medium. The Hyper-Rayleigh Scattering (HRS) technique allowed the determination of the experimental dynamic beta(HRS) values, by exciting the compounds with a picosecond pulse trains from a Q-switched and mode-locked Nd:YAG laser tuned at 1064 nm. Theoretical predictions based on time-dependent density functional theory level using the Gaussian 09 program package were performed with three different functionals (B3LYP, CAM-B3LYP, and M06-2X), to calculate both static and dynamic theoretical beta(HRS) values. Good accordance was found between the experimental and theoretical values, in particular for the CAM-B3LYP and M06-2X functionals. (AU)

FAPESP's process: 16/20886-1 - Ultrafast nonlinear optical spectroscopy: Transient Absorption and optical Kerr Gate with polarization control
Grantee:Leonardo de Boni
Support Opportunities: Regular Research Grants
FAPESP's process: 18/11283-7 - Nonlinear photonics: spectroscopy and advanced processing of materials
Grantee:Cleber Renato Mendonça
Support Opportunities: Research Projects - Thematic Grants