Theoretical and experimental investigation of multifunctional highly conjugated organic push-pull ligands for NLO applications

Mydlova, Lucia; Taboukhat, S.; Ayadi, Awatef; Migalska‐Zalas, A.; El‐Ghayoury, Abdelkrim; Zawadzka, Anna; Makowska‐Janusik, M.; Sahraoui, B.

doi:10.1016/j.optmat.2018.10.017

Cited by 18 publications

(4 citation statements)

References 30 publications

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“…The obtained values of the second-order nonlinear coefficients for the samples A/ PVK, B/PVK, and C/PVK ordered by the external electric field are within the range 0.21 − 0.45 × 10 −12 pm/V for 10 wt%. They are comparable with the second-order susceptibilities of urea (χ (2) = 1.0 × 10 −12 pm/V [38]), and other similar systems [39,40]. These values are slightly higher compared to the second-order susceptibility of the A/PMMA, B/PMMA, and C/PMMA films with the same concentration (χ (2) = 0.28 − 0.36 × 10 −12 pm/V) [13].…”

Section: Second and Third Harmonic Generationsupporting

confidence: 75%

Computational and Experimental Study of Nonlinear Optical Susceptibilities of Composite Materials Based on PVK Polymer Matrix and Benzonitrile Derivatives

et al. 2022

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Theoretical and experimental investigations of the linear and nonlinear optical properties of composite materials based on the (Z)-4-(1-cyano-2-(5-methylfuran-2-yl)vinyl)benzonitrile molecule named as A, the (Z)-4-(2-(benzofuran-2-yl)-1-cyanovinyl)benzonitrile named as B and the (Z)-4-(2-(4-(9H-carbazol-9-yl)phenyl)-1-cyanovinyl)benzonitrile molecule named as C embedded into poly(1-vinylcarbazole) (PVK) polymer matrix were performed. The electronic and optical properties of A, B, and C molecules in a vacuum and PVK were calculated. The guest–host polymer structures for A, B, and C molecules in PVK were modeled using molecular dynamics simulations. The spatial distribution of chromophores in the polymer matrix was investigated using the intermolecular radial distribution (RDF) function. The reorientation of A, B, and C molecules under the influence of the external electric field was investigated by measuring the time-dependent arrangement of the angle between the dipole moment of the chromophore and the external electric field. The polarizabilities and hyperpolarizabilities of tested compounds have been calculated applying the DFT/B3LYP functional. The second- and third-order nonlinear optical properties of the molecule/PVK thin film guest–host systems were investigated by the Maker fringes technique in the picosecond regime at the fundamental wavelength of 1064 nm. The experimental results were confirmed and explained with theoretical simulations and were found to be in good agreement. The modeling of the composites in volumetric and thin-film form explains the poling phenomena caused by the external electric field occurring with the confinement effect.

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Section: Second and Third Harmonic Generationsupporting

confidence: 75%

Computational and Experimental Study of Nonlinear Optical Susceptibilities of Composite Materials Based on PVK Polymer Matrix and Benzonitrile Derivatives

et al. 2022

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“…The shift of the experimental absorption band towards the longer wavelengths is caused by the amorphous nature of the structure of films obtained by the PVD method. Comparing the experimental UV-visible absorption spectra and theoretical, it can be seen that intermolecular interactions cause a bathochromic effect on all molecules [ 54 ].…”

Section: Resultsmentioning

confidence: 99%

Selected Organometallic Compounds for Third Order Nonlinear Optical Application

et al. 2019

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In this paper, we present the third harmonic generation response of Znq2 (Bis-(8-hydroxyquinolinato)zinc), Cuq2 (8-Hydroxyquinoline copper(II)), and Alq3 (Tris-(8-hydroxyquinoline)aluminum) organometallic compounds. An experiment was conducted for s and p polarizations of incident beam, using the Maker fringes technique. The third order nonlinear susceptibility χ(3) was estimated using the Kubodera and Kobayashi comparative model, on the grounds that presented compounds exhibit high linear absorption of the generated third harmonic wavelength (355 nm). These complexes were deposited as thin films using the physical vapor deposition (PVD) method. Investigated complexes vary in terms of the coordination center and number of quinoline ligands, which visibly influence their nonlinear response. The global hybrid B3LYP functional with the basis set 6-31G(d) was used in computing the linear and non-linear optical properties. The computed γtot value (8765.36 × 10−36 esu for Cuq2) is superior to that of methylene blue (γ = 32.00 × 10−36 esu). The calculated theoretical values were found to be in good agreement with the experimental results.

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“…[5][6][7][8][9] For the past few decades, nonlinear optical (NLO) materials have earned great attention in the eld of photonics because of their vast applications in LASER, LED, optical display, biosensors, scanners and telecommunication and other elds of photonics. 6,[10][11][12][13][14] Due to their unique properties of producing new electric and magnetic elds, a large number of NLO materials are produced. 15,16 Two major classes of NLO materials are organic and inorganic NLO materials.…”

Section: Introductionmentioning

confidence: 99%

DFT study of superhalogen and superalkali doped graphitic carbon nitride and its non-linear optical properties

et al. 2021

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Theoretical and experimental investigation of multifunctional highly conjugated organic push-pull ligands for NLO applications

Cited by 18 publications

References 30 publications

Computational and Experimental Study of Nonlinear Optical Susceptibilities of Composite Materials Based on PVK Polymer Matrix and Benzonitrile Derivatives

Computational and Experimental Study of Nonlinear Optical Susceptibilities of Composite Materials Based on PVK Polymer Matrix and Benzonitrile Derivatives

Selected Organometallic Compounds for Third Order Nonlinear Optical Application

DFT study of superhalogen and superalkali doped graphitic carbon nitride and its non-linear optical properties

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