Click-Type Synthesis of Homoconjugated Push-Pull Chromophores: Computational Investigation of Optical and Nonlinear Optical (NLO) Properties

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Inyurt F. C., Mammadova F., DENGİZ Ç.

SYNOPEN, vol.7, no.1, pp.1-7, 2023 (ESCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 7 Issue: 1
  • Publication Date: 2023
  • Doi Number: 10.1055/a-2004-6344
  • Journal Name: SYNOPEN
  • Journal Indexes: Emerging Sources Citation Index (ESCI)
  • Page Numbers: pp.1-7
  • Keywords: triazene, nonlinear optics, [2+2] cycloaddition, homoconjugation, donor-acceptor systems, intramolecular charge transfer, DENSITY-FUNCTIONAL THEORY, ACCEPTOR, CHEMISTRY, MOLECULES, TRIAZENE, ANALOGS, DFT
  • Middle East Technical University Affiliated: Yes

Abstract

Homoconjugated push-pull chromophores were obtained by an efficient, click-type formal [2+2] cycloaddition. With these short synthetic transformations, complex chromophore structures were achieved in a single step without any by-product formation. Significant second-order optical nonlinearities have been calculated for the synthesized compounds.