doi:10.1039/c9cp05640hengRothe, CNeusser, DHoppe, NDirnberger, KVogel, WGamez-Valenzuela, SNavarrete, JTLVillacampa, BelénBerroth, MDelgado, MCRLudwigs, SPush-pull thiophene chromophores for electro-optic applications: from 1D linear to beta-branched structuresART-2020-116385We 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.2020http://zaguan.unizar.es/record/9732910.1039/c9cp05640hhttp://zaguan.unizar.es/record/97329oai:zaguan.unizar.es:97329info:eu-repo/grantAgreement/ES/DGA/E14-17Rinfo:eu-repo/grantAgreement/ES/UZ/23427PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22, 4 (2020), 2283-2294All rights reservedhttp://www.europeana.eu/rights/rr-f/info:eu-repo/semantics/openAccess