97329 20210902121614.0 doi 10.1039/c9cp05640h sideral 116385 ART-2020-116385 eng Rothe, C Push-pull thiophene chromophores for electro-optic applications: from 1D linear to beta-branched structures 2020 Access copy available to the general public Unrestricted We 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. info:eu-repo/grantAgreement/ES/DGA/E14-17R info:eu-repo/grantAgreement/ES/UZ/23427 info:eu-repo/semantics/openAccess All rights reserved http://www.europeana.eu/rights/rr-f/ 3.676 2020 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 8 / 37 = 0.216 2020 Q1 T1 CHEMISTRY, PHYSICAL 77 / 162 = 0.475 2020 Q2 T2 1.052 2020 Physics and Astronomy (miscellaneous) 2020 Q1 Physical and Theoretical Chemistry 2020 Q1 info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion Neusser, D Hoppe, N Dirnberger, K Vogel, W Gamez-Valenzuela, S Navarrete, JTL Villacampa, Belén Universidad de Zaragoza (orcid)0000-0001-9814-0834 Berroth, M Delgado, MCR Ludwigs, S 2003 395 Universidad de Zaragoza Dpto. Física Materia Condensa. Área Física Materia Condensada 22, 4 (2020), 2283-2294 Phys. chem. chem. phys. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 2249144 http://zaguan.unizar.es/record/97329/files/texto_completo.pdf Postprint 247140 http://zaguan.unizar.es/record/97329/files/texto_completo.jpg?subformat=icon icon Postprint oai:zaguan.unizar.es:97329 articulos driver 2021-09-02-08:43:16 ARTICLE