Synthesis, characterization and nonlinear optical (NLO) properties of a push-pull bisboronate chromophore with a potential electric field induced NLO switch
| العنوان: | Synthesis, characterization and nonlinear optical (NLO) properties of a push-pull bisboronate chromophore with a potential electric field induced NLO switch |
|---|---|
| المؤلفون: | Norberto Farfán, Jean François Lamère, Rosa Santillan, José María Rivera, Pascal G. Lacroix, Keitaro Nakatani |
| المساهمون: | Laboratoire de chimie de coordination ( LCC ), Centre National de la Recherche Scientifique ( CNRS ), Departamento de Quimica Organica, Facultad de Quimica, Universidad Nacional Autonoma de Mexico, Departamen to de Quimica, Centro de Investigacio´n y de Estudios Avanzados del IPN, Laboratoire de Photophysique et Photochimie Supramoléculaires et Macromoléculaires ( PPSM ), École normale supérieure - Cachan ( ENS Cachan ) -Centre National de la Recherche Scientifique ( CNRS ), Institut d'Alembert ( IDA ), Centre National de la Recherche Scientifique ( CNRS ) -École normale supérieure - Cachan ( ENS Cachan ), Laboratoire de chimie de coordination (LCC), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie de Toulouse (ICT-FR 2599), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Photophysique et Photochimie Supramoléculaires et Macromoléculaires (PPSM), École normale supérieure - Cachan (ENS Cachan)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut d'Alembert (IDA), École normale supérieure - Cachan (ENS Cachan)-Centre National de la Recherche Scientifique (CNRS) |
| المصدر: | Journal of Materials Chemistry Journal of Materials Chemistry, Royal Society of Chemistry, 2006, 16 (28), pp.2913-2920. 〈10.1039/b606359d〉 Journal of Materials Chemistry, Royal Society of Chemistry, 2006, 16 (28), pp.2913-2920. ⟨10.1039/b606359d⟩ |
| بيانات النشر: | HAL CCSD, 2006. |
| سنة النشر: | 2006 |
| مصطلحات موضوعية: | organometallic chemistry, ab-initio, Field (physics), Hyperpolarizability, rotary motion, 02 engineering and technology, 010402 general chemistry, boron-nitrogen, 01 natural sciences, Molecular physics, neutron-capture therapy, Optics, Electric field, arylboronic acids, Materials Chemistry, molecular hyperpolarizabilities, business.industry, Chemistry, Nonlinear optics, General Chemistry, Chromophore, 021001 nanoscience & nanotechnology, 0104 chemical sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Intramolecular force, [ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistry, Electric potential, 0210 nano-technology, business, Ground state, hyper-rayleigh scattering, crystal-structures, metal-complexes |
| الوصف: | International audience; A new bisboronate with five six-membered ring heterobicycles was prepared by reaction of [2-(2-hydroxy-4-diethylaminobenzylidene)amino]-5-nitroaminophenol and 1,4-phenyldiboronic acid, and its quadratic nonlinear optical (NLO) response was compared to that of a related monoboronate species. A computational investigation conducted within the framework of the DFT theory, at the B3PW91/6-31G* level, indicates that, while the diboronate derivative exhibits a centrosymmetric conformation in the ground state, and hence a vanishing quadratic hyperpolarizability (beta), the application of an external electric field provides a gradual intramolecular rotation of the two "push-pull'' sub-units which reaches 128 degrees for a field intensity of 10(-3) a.u. and leads to a beta value equal to 49.2 x 10(-30) cm(5) esu(-1). This result suggests a possibility for a molecular NLO switch induced by an electric field in such systems. Experimentally, the NLO response measured by the electric field induced second harmonic (EFISH) technique indicates an NLO response (expressed as the mu x beta product) 1.95 times larger for the bisboronate than for the monoboronate analogue, thus suggesting that, although the ground state conformation is centrosymmetric, the "push-pull'' sub-units are in quasi-free rotation at room temperature. |
| اللغة: | English |
| تدمد: | 0959-9428 1364-5501 |
| DOI: | 10.1039/b606359d〉 |
| DOI: | 10.1039/b606359d⟩ |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::db6d3bb6493d45af65d13eedd16d4fc6 https://hal.archives-ouvertes.fr/hal-00171699 |
| رقم الانضمام: | edsair.doi.dedup.....db6d3bb6493d45af65d13eedd16d4fc6 |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 09599428 13645501 |
|---|---|
| DOI: | 10.1039/b606359d〉 |