Polymer Matrix Effects on the Nonlinear Optical Response of Incorporated Chromophore: New Analytical Models

Balakina, Marina Yu.

doi:10.1002/cphc.200600263

Cited by 13 publications

(5 citation statements)

References 49 publications

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“…(13), we furthermore neglected any local anisotropy or deformability of the medium. In the more general case of anisotropic permittivity and polarizability, local‐field factors can be derived from a tensorial treatment . Similar considerations apply to the case of a polarizable solute with a permanent dipole moment, which can be accommodated by replacing the constitutive relation of Eq.…”

Section: The Onsager−böttcher Treatment Of a Dipole In A Cavitymentioning

confidence: 99%

Understanding Local‐Field Correction Factors in the Framework of the Onsager−Böttcher Model

2019

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The determination of the appropriate local-field factor for quantifying the response of a molecule to an external electric field is of major importance in optical spectroscopy. Although numerous studies have dealt with the evolution of the optical properties of emitters as a function of their environment, the choice of the model used to quantify local fields is still ambiguous, and sometimes even arbitrary. In this paper, we review the Onsager-Böttcher model, which introduces the polarizability of the probe molecule as the determinant parameter for the local field factor, and we establish a simple conceptual framework encompassing all commonly used models. Finally, a discussion of published experimental research illustrates the potential of the measurement of local electric fields in dense dielectric media, as well as the subtleties involved in their interpretation.

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Section: The Onsager−böttcher Treatment Of a Dipole In A Cavitymentioning

confidence: 99%

Understanding Local‐Field Correction Factors in the Framework of the Onsager−Böttcher Model

2019

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“…Rational design and search for modern optical materials is currently one of the main tasks of materials science research. − The composites based on polymeric host matrix and NLO-active organic guest molecules (chromophores) play a special role in the area of organic nonlinear optical (NLO) materials. Successful application of such composites requires particular macroscopic optical properties, relevant design of the individual components, and homogeneous distribution of guest molecules.…”

Section: Introductionmentioning

confidence: 99%

Peculiarities of the Environmental Influence on the Optical Properties of Push–Pull Nonlinear Optical Molecules: A Theoretical Study

et al. 2011

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Gas-phase geometry optimization of NLO-active molecules is one of the standard approaches in the first principle computational methodology, whereas the important role of the environment is usually not considered during the evaluation of structural parameters. With a wide variety of environmentally influenced models in most cases only the high quality single point calculations are prepared. Among different approaches, the most used polarizable continuum model (PCM) seems to be promising. In this study, we have compared the electronic properties of gas-phase optimized geometries of imidazole-derived push-pull compounds with those optimized using PCM solvation approach including CH(2)Cl(2) and PMMA as media. We have focused particularly on the linear optical properties of investigated molecules, namely on the UV-vis absorption spectra. The analysis of presented results shows the applicability of the different quantum chemical (QC) methods for the UV-vis spectra calculations of linear NLO molecules. Herein we also present the need of molecule geometry optimization affected by the environment. Following the performed calculations, the electronic properties of gas-phase optimized molecules give conformable results with respect to those obtained by more time-consuming continuum optimizations. All computational data are supported by experimental investigations.

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“…A search for novel chromophores for optoelectronics and nonlinear optics (NLO) is one of the main goals of modern materials science and physics. − Their practical application requires not only the appropriate design but also the relevant macroscopic properties of newly established material. Therefore, the influence of different solvents on the NLO susceptibilities determining the efficiency of the laser transformation should be investigated.…”

Section: Introductionmentioning

confidence: 99%

Optical Operation by Chromophores Featuring 4,5-Dicyanoimidazole Embedded within Poly(methyl methacrylate) Matrices

et al. 2010

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We have studied photoinduced absorption, birefringence, and optical second-harmonic generation in poly(methyl methacrylate) (PMMA) films doped by organic chromophores featuring 4,5-dicyanoimidazole in the weight content equal to 5%. The chromophores indicated as IM1-IM6 were synthesized from 2-bromo-1-methylimidazole-4,5-dicarbonitrile by either nucleophilic substitution or Suzuki-Miyaura cross-coupling reaction. The samples were obtained as films of several micrometers thickness by the spin-coating method on a quartz substrate. Measurements of the optically induced birefringence were done by the Senarmont method at wavelength 1150 nm, and photoinduced absorption was studied in the spectral range 250-700 nm under optical treatment by 300 mW cw 532 nm laser. Photoinduced optical effects were studied by bicolor 1064 and 532 nm coherent laser pulses. The maximal changes were observed for the ratio between fundamental and writing beam intensities equal to about 7:1. To interpret the observed experimental measurements, theoretical simulations of photoinduced optical properties were performed by quantum chemical computational methods.

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Polymer Matrix Effects on the Nonlinear Optical Response of Incorporated Chromophore: New Analytical Models

Cited by 13 publications

References 49 publications

Understanding Local‐Field Correction Factors in the Framework of the Onsager−Böttcher Model

Understanding Local‐Field Correction Factors in the Framework of the Onsager−Böttcher Model

Peculiarities of the Environmental Influence on the Optical Properties of Push–Pull Nonlinear Optical Molecules: A Theoretical Study

Optical Operation by Chromophores Featuring 4,5-Dicyanoimidazole Embedded within Poly(methyl methacrylate) Matrices

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