Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/102918
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dc.contributor.authorAchelle, S.en
dc.contributor.authorVerbitskiy, E. V.en
dc.contributor.authorFecková, M.en
dc.contributor.authorBureš, F.en
dc.contributor.authorBarsella, A.en
dc.contributor.authorRobin-le, Guen, F.en
dc.date.accessioned2021-08-31T15:06:15Z-
dc.date.available2021-08-31T15:06:15Z-
dc.date.issued2021-
dc.identifier.citationV-Shaped Methylpyrimidinium Chromophores for Nonlinear Optics / S. Achelle, E. V. Verbitskiy, M. Fecková, et al. — DOI 10.1002/cplu.202100081 // ChemPlusChem. — 2021. — Vol. 86. — Iss. 5. — P. 758-762.en
dc.identifier.issn21926506-
dc.identifier.otherFinal2
dc.identifier.otherAll Open Access, Green3
dc.identifier.otherhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85105769197&doi=10.1002%2fcplu.202100081&partnerID=40&md5=1f5d54658afa86cba15df87833e22ea4
dc.identifier.otherhttps://hal.archives-ouvertes.fr/hal-03247404/file/achelle_cplu202100081-sup-0001-misc_information.pdfm
dc.identifier.urihttp://hdl.handle.net/10995/102918-
dc.description.abstractA series of four V-shaped methylpyrimidinium salts bearing diphenylamino-electron-donating groups appended at various pyrimidine positions were designed. These chromophores were obtained by regioselective N(1) monomethylation by methyl methanesulfonate of the pyrimidine core. Linear optical properties were studied experimentally and electronic properties were further completed by (TD)-DFT calculations. The second-order nonlinear optical (NLO) properties were also studied using electric field induced second harmonic generation (EFISH) method in chloroform, and all pyrimidinium salts exhibited μβ0>1000×10−48 esu. The 2,4-disubstituted pyrimidinium core is preferred over 4,6-disubstitution as it enhances the NLO response and increases the dipole moment. (E,E)-2,4-Bis[4-(diphenylamino)styryl]-1-methylpyrimidin-1-ium methanesulfonate appears to be the best NLO-phore in chloroform in the series (μβ0=2500×10−48 esu) and a figure of merit μβ0/MW=3.4 10−48 esu mol g−1. © 2021 Wiley-VCH GmbHen
dc.description.sponsorshipVEV is grateful for the financial support for the synthetic part related to compound 3 from the Russian Foundation for Basic Research (Research Project No. 18-29-23045 mk). MF acknowledges the Région Bretagne, France for her Ph.D. funding (HOLED project).en
dc.format.mimetypeapplication/pdfen
dc.language.isoenen
dc.publisherJohn Wiley and Sons Incen
dc.rightsinfo:eu-repo/semantics/openAccessen
dc.sourceChemPlusChem2
dc.sourceChemPlusChemen
dc.subjectCHROMOPHORESen
dc.subjectDONOR-ACCEPTOR SYSTEMSen
dc.subjectPHOTOPHYSICSen
dc.subjectPYRIMIDINESen
dc.subjectSECOND-ORDER NONLINEAR OPTICSen
dc.titleV-Shaped Methylpyrimidinium Chromophores for Nonlinear Opticsen
dc.typeArticleen
dc.typeinfo:eu-repo/semantics/articleen
dc.typeinfo:eu-repo/semantics/publishedVersionen
dc.identifier.doi10.1002/cplu.202100081-
dc.identifier.scopus85105769197-
local.contributor.employeeAchelle, S., Univ Rennes, CNRS, Institut des Sciences Chimiques de Rennes-UMR6226, Rennes, 35000, France
local.contributor.employeeVerbitskiy, E.V., I. Postovsky Institute of Organic Synthesis, Ural Branch of the Russian Academy of Sciences, S. Kovalevskaya Str. 22, Ekaterinburg, 620137, Russian Federation, Ural Federal University, Mira St. 19, Ekaterinburg, 620002, Russian Federation
local.contributor.employeeFecková, M., Univ Rennes, CNRS, Institut des Sciences Chimiques de Rennes-UMR6226, Rennes, 35000, France, Institute of Organic Chemistry and Technology, Faculty of Chemical Technology, University of Pardubice, Studentská 573, Pardubice, 53210, Czech Republic
local.contributor.employeeBureš, F., Institute of Organic Chemistry and Technology, Faculty of Chemical Technology, University of Pardubice, Studentská 573, Pardubice, 53210, Czech Republic
local.contributor.employeeBarsella, A., Département d'Optique ultrarapide et Nanophotonique, IPCMS, UMR CNRS 7504, Université de Strasbourg, 23 rue du Loess, BP 43, Strasbourg Cedex 2, 67034, France
local.contributor.employeeRobin-le Guen, F., Univ Rennes, CNRS, Institut des Sciences Chimiques de Rennes-UMR6226, Rennes, 35000, France
local.description.firstpage758-
local.description.lastpage762-
local.issue5-
local.volume86-
local.contributor.departmentUniv Rennes, CNRS, Institut des Sciences Chimiques de Rennes-UMR6226, Rennes, 35000, France
local.contributor.departmentI. Postovsky Institute of Organic Synthesis, Ural Branch of the Russian Academy of Sciences, S. Kovalevskaya Str. 22, Ekaterinburg, 620137, Russian Federation
local.contributor.departmentUral Federal University, Mira St. 19, Ekaterinburg, 620002, Russian Federation
local.contributor.departmentInstitute of Organic Chemistry and Technology, Faculty of Chemical Technology, University of Pardubice, Studentská 573, Pardubice, 53210, Czech Republic
local.contributor.departmentDépartement d'Optique ultrarapide et Nanophotonique, IPCMS, UMR CNRS 7504, Université de Strasbourg, 23 rue du Loess, BP 43, Strasbourg Cedex 2, 67034, France
local.identifier.pure21863430-
local.identifier.puree52987b8-a1ee-469d-8f23-fbcb7a848421uuid
local.identifier.eid2-s2.0-85105769197-
local.fund.rffi18-29-23045-
local.identifier.pmid33973733-
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