A systematic femtosecond study on the two-photon absorbing D-π-A molecules–π-bridge nitrogen insertion and strength of the donor and acceptor groups

Antonov, L.; Kamada, Kei; Ohta, Koji; Kamounah, Fadhil S.

doi:10.1039/b211260d

Cited by 129 publications

(142 citation statements)

References 27 publications

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“…For example, a value of 118 GM was reported by Antonov et al for DO3 using the open-aperture Z-scan technique 19 with femtosecond pulses. 5 The theoretical calculations using B3LYP and PBE0 functionals provide good results for the 2PA cross-section of the S 0 → S 2 transition of pseudostilbene-type compounds but significantly underestimate it for DO3, DR19, and DR19-Cl. It can be noted that the theoretical calculations using these hybrid functionals underestimate the 2PA cross-section for the S 0 → S 3 transition of all compounds.…”

Section: -7mentioning

confidence: 99%

“…Among them, azoaromatic compounds have been recognized as an interesting class of materials. 5,6 In the past decades, much effort has been put into analyzing the nonlinear absorption phenomena on purely theoretical basis, and theoretical methods have been employed to study the 2PA of several materials, for example, organic and organometallic compounds. In particular, numerous aspects affecting the nonlinear absorption, such as molecular symmetry, molecular planarity and extension of the conjugation length of the compounds have been considered.…”

Section: Introductionmentioning

confidence: 99%

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Theoretical study of one- and two-photon absorption spectra of azoaromatic compounds

Silva

Krawczyk

Bartkowiak

et al. 2009

The Journal of Chemical Physics

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Following the excited state relaxation dynamics of indole and 5-hydroxyindole using time-resolved photoelectron spectroscopy J. Chem. Phys. 135, 194307 (2011) Population inversion of molecular nitrogen in an Ar: N2 mixture by selective resonance-enhanced multiphoton ionization J. Appl. Phys. 110, 083112 (2011) Control of vibronic excitation using quantum-correlated photons J. Chem. Phys. 135, 164304 (2011) Resonant two-photon ionization spectroscopy of jet-cooled PdSi J. Chem. Phys. 135, 134308 (2011) Optical purification of a mixture of chiral forms by dimer formation J. Chem. Phys. 135, 124304 (2011) Additional information on J. Chem. Phys. In this study, the one-and two-photon absorption spectra of seven azoaromatic compounds ͑five pseudostilbenes-type and two aminoazobenzenes͒ were theoretically investigated using the density functional theory combined with the response functions formalism. The equilibrium molecular structure of each compound was obtained at three different levels of theory: Hartree-Fock, density functional theory ͑DFT͒, and Møller-Plesset 2. The effect of solvent on the equilibrium structure and the electronic transitions of the compounds were investigated using the polarizable continuum model. For the one-photon absorption, the allowed → ‫ء‬ transition energy showed to be dependent on the molecular structures and the effect of solvent, while the n → ‫ء‬ and → ‫ء‬ ͑n͒ transition energies exhibited only a slight dependence. An inversion between the bands corresponding to the → ‫ء‬ and n → ‫ء‬ states due to the effect of solvent was observed for the pseudostilbene-type compounds. To characterize the allowed two-photon absorption transitions for azoaromatic compounds, the response functions formalism combined with DFT using the hybrid B3LYP and PBE0 functionals and the long-range corrected CAM-B3LYP functional was employed. The theoretical results support the previous findings based on the three-state model. The model takes into account the ground and two electronic excited states and has already been used to describe and interpret the two-photon absorption spectrum of azoaromatic compounds. The highest energy two-photon allowed transition for the pseudostilbene-type compounds shows to be more effectively affected ͑ϳ20%͒ by the torsion of the molecular structure than the lowest allowed transition ͑ϳ10%͒. In order to elucidate the effect of the solvent on the two-photon absorption spectra, the lowest allowed two-photon transition ͑dipolar transition͒ for each compound was analyzed using a two-state approximation and the polarizable continuum model. The results obtained reveal that the effect of solvent increases drastically the two-photon cross-section of the dipolar transition of the pseudostilbene-type compounds. In general, the features of both one-and two-photon absorption spectra of the azoaromatic compounds are well reproduced by the theoretical calculations.

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Section: -7mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Theoretical study of one- and two-photon absorption spectra of azoaromatic compounds

Silva

Krawczyk

Bartkowiak

et al. 2009

The Journal of Chemical Physics

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“…However, the interest in their thirdorder nonlinear optical properties and its applications is a more recent subject [21][22][23]. Recently, we studied the correlation between the 2PA and structural molecular features in a series of azoaromatic compounds [24,25], as well as the effect of temperature on their 2PA cross-section, which was related to thermally induced changes in the molecular conformation [26].…”

Section: Introductionmentioning

confidence: 99%

Two-photon absorption spectrum in diazoaromatic compounds

Boni¹,

Andrade²,

Yamaki

et al. 2008

Chemical Physics Letters

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“…Thereby, attention has progressively moved from the well-known push-pull dipolar molecular structures [34,41,[75][76][77][78][79][80][81][82][83][84][85][86][87][88] to quadrupoles [3,33,36,57,58,63,76,78,81,85,86,[89][90][91][92][93][94][95][96][97][98][99][100][101][102][103][104][105][106][107] and, more recently, toward complex molecular architectures. Quadrupoles have been found to be more efficient than dipoles in terms of TPA, in particular for multiphoton-based opticallimiting applications.…”

Section: Introductionmentioning

confidence: 99%

Enhanced Two‐Photon Absorption of Organic Chromophores: Theoretical and Experimental Assessments

et al. 2008

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A systematic femtosecond study on the two-photon absorbing D-π-A molecules–π-bridge nitrogen insertion and strength of the donor and acceptor groups

Cited by 129 publications

References 27 publications

Theoretical study of one- and two-photon absorption spectra of azoaromatic compounds

Theoretical study of one- and two-photon absorption spectra of azoaromatic compounds

Two-photon absorption spectrum in diazoaromatic compounds

Enhanced Two‐Photon Absorption of Organic Chromophores: Theoretical and Experimental Assessments

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