Isomeric indolizine-based pi-expanded push-pull NLO-chromophores: Synthesis and comparative study

摘要

Two series of isomeric indolizine-based chromophores with isophorone rings as a pi-bridge have been synthesized and systematically investigated. The chromophores have a high thermal stability: the decomposition temperature is above 238 degrees C. For isomers with 1-methyl-2-phenylindolizin-3-yl (MPI-3) donor group higher values of 13 are predicted in comparison with those having 3-methyl-2-phenylindolizin-1-yl (MPI-1) donor group. This is in good agreement with the experimental and theoretical values of the HOMO-LUMO energy gap. Indolizine-based chromophores with barbituric acceptor and isophorone moieties in the pi-bridge demonstrate the combination of good characteristics. (C) 2017 Elsevier B.V. All rights reserved.