Computed Properties of C4H2Br2SIn 2020 ,《Push-pull thiophene chromophores for electro-optic applications: from 1D linear to β-branched structures》 appeared in Physical Chemistry Chemical Physics. The author of the article were Rothe, Christian; Neusser, David; Hoppe, Niklas; Dirnberger, Klaus; Vogel, Wolfgang; Gamez-Valenzuela, Sergio; Lopez Navarrete, Juan T.; Villacampa, Belen; Berroth, Manfred; Ruiz Delgado, M. Carmen; Ludwigs, Sabine. The article conveys some information:
The authors report the synthesis and characterization of push-pull chromophores bearing one-dimensional (1D) linear and β-branched thiophenes as π-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 β-thiophenes on the linear and nonlinear optical (NLO) properties as well as electrochem. and thermal data is studied in detail by performing a comparative study between the branched and 1D linear systems. A parallel DFT computational study is used to evaluate structure-property relations. The NLO behavior of the mols. both in solution and in solid state as electrooptic (EO) films using a guest-host approach shows very promising performance for electrooptic applications with high mol. 1st hyperpolarizabilities (μβ) of 4840 × 10-48 esu and electrooptic coefficients r33 reaching 650 pm V-1. One highlight is that the EO films of the β-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 electrooptic materials including β-branched chromophores which could be useful for practical EO applications, where both enhanced β and r33 values together with chem. and thermal stability are necessary. After reading the article, we found that the author used 2,5-Dibromothiophene(cas: 3141-27-3Computed Properties of C4H2Br2S)
2,5-Dibromothiophene(cas: 3141-27-3) , is mainly used as pharmaceutical intermediate and synthesis intermediate. 2,5-Dibromothiophene polymerizes by debromination with magnesium catalyzed by nickel compounds to form poly(2,5- thienylene) .Computed Properties of C4H2Br2S
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary