000097329 001__ 97329
000097329 005__ 20210902121614.0
000097329 0247_ $$2doi$$a10.1039/c9cp05640h
000097329 0248_ $$2sideral$$a116385
000097329 037__ $$aART-2020-116385
000097329 041__ $$aeng
000097329 100__ $$aRothe, C
000097329 245__ $$aPush-pull thiophene chromophores for electro-optic applications: from 1D linear to beta-branched structures
000097329 260__ $$c2020
000097329 5060_ $$aAccess copy available to the general public$$fUnrestricted
000097329 5203_ $$aWe report the synthesis and characterization of a novel series of push-pull chromophores bearing 1D linear and beta-branched thiophenes as pi-conjugated spacers between a 2, 2, 4, 7-tetramethyl-1, 2, 3, 4-tetrahydroquinoline electron donor unit and dicyano- and tricyanovinylene electron acceptor groups. The effect of the introduction of beta-thiophenes on the linear and nonlinear (NLO) optical properties as well as electrochemical and thermal data is studied in detail by performing a comparative study between the branched and 1D linear systems. In addition, a parallel DFT computational study is used to evaluate structure-property relationships. The non-linear optical behavior of the molecules both in solution and in solid state as electro-optic (EO) films using a guest-host approach shows very promising performance for electro-optic applications with high molecular first hyperpolarizabilities (mu beta) of 4840 x 10(-48) esu and electro-optic coefficients r(33) reaching 650 pm V-1. One highlight is that the electro-optic films of the beta-branched chromophores are superior in terms of thermal stability in device operation as measured by a transmissive modified reflective Teng-Man method. This work provides guidelines for the design of improved electro-optic materials including beta-branched chromophores which could be useful for practical EO applications, where both enhanced beta and r(33) values together with chemical and thermal stability are necessary.
000097329 536__ $$9info:eu-repo/grantAgreement/ES/DGA/E14-17R$$9info:eu-repo/grantAgreement/ES/UZ/23427
000097329 540__ $$9info:eu-repo/semantics/openAccess$$aAll rights reserved$$uhttp://www.europeana.eu/rights/rr-f/
000097329 590__ $$a3.676$$b2020
000097329 591__ $$aPHYSICS, ATOMIC, MOLECULAR & CHEMICAL$$b8 / 37 = 0.216$$c2020$$dQ1$$eT1
000097329 591__ $$aCHEMISTRY, PHYSICAL$$b77 / 162 = 0.475$$c2020$$dQ2$$eT2
000097329 592__ $$a1.052$$b2020
000097329 593__ $$aPhysics and Astronomy (miscellaneous)$$c2020$$dQ1
000097329 593__ $$aPhysical and Theoretical Chemistry$$c2020$$dQ1
000097329 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/acceptedVersion
000097329 700__ $$aNeusser, D
000097329 700__ $$aHoppe, N
000097329 700__ $$aDirnberger, K
000097329 700__ $$aVogel, W
000097329 700__ $$aGamez-Valenzuela, S
000097329 700__ $$aNavarrete, JTL
000097329 700__ $$0(orcid)0000-0001-9814-0834$$aVillacampa, Belén$$uUniversidad de Zaragoza
000097329 700__ $$aBerroth, M
000097329 700__ $$aDelgado, MCR
000097329 700__ $$aLudwigs, S
000097329 7102_ $$12003$$2395$$aUniversidad de Zaragoza$$bDpto. Física Materia Condensa.$$cÁrea Física Materia Condensada
000097329 773__ $$g22, 4 (2020), 2283-2294$$pPhys. chem. chem. phys.$$tPHYSICAL CHEMISTRY CHEMICAL PHYSICS$$x1463-9076
000097329 8564_ $$s2249144$$uhttps://zaguan.unizar.es/record/97329/files/texto_completo.pdf$$yPostprint
000097329 8564_ $$s247140$$uhttps://zaguan.unizar.es/record/97329/files/texto_completo.jpg?subformat=icon$$xicon$$yPostprint
000097329 909CO $$ooai:zaguan.unizar.es:97329$$particulos$$pdriver
000097329 951__ $$a2021-09-02-08:43:16
000097329 980__ $$aARTICLE