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The Synthesis and Theoretical Investigation of Functionalized N,N′-Arylthioalkylisoindigo Derivatives

Journal Article


Abstract


  • A variety of functionalized N,N′-thioalkylisoindigo derivatives, ((E)-2,2′-dioxo-[3,3′-biindolinylidene]-1,1′-diyl)bis(butane-4,1-diyl)-bis(N-phenyl-3,4-dihydroquinoline-1(2H)-carbimidothioate), and (E)-1,1′-bis(3-(4-bromophenoxy)propyl)-[3,3′-biindolinylidene]-2,2′-dione were synthesized from N,N′-bromoalkylisoindigos for the first time using mild conditions. To make an accurate estimation of the optical and electrochemical properties of the novel functionalized isoindigo derivatives synthesized, precise computational methods were used including periodic and non-periodic density functional theory (DFT) and time-dependent DFT.

Publication Date


  • 2022

Citation


  • Khalili, G., Rezaei, F., & Keller, P. A. (2022). The Synthesis and Theoretical Investigation of Functionalized N,N′-Arylthioalkylisoindigo Derivatives. ChemistrySelect, 7(1). doi:10.1002/slct.202103008

Scopus Eid


  • 2-s2.0-85123689326

Web Of Science Accession Number


Volume


  • 7

Issue


  • 1

Abstract


  • A variety of functionalized N,N′-thioalkylisoindigo derivatives, ((E)-2,2′-dioxo-[3,3′-biindolinylidene]-1,1′-diyl)bis(butane-4,1-diyl)-bis(N-phenyl-3,4-dihydroquinoline-1(2H)-carbimidothioate), and (E)-1,1′-bis(3-(4-bromophenoxy)propyl)-[3,3′-biindolinylidene]-2,2′-dione were synthesized from N,N′-bromoalkylisoindigos for the first time using mild conditions. To make an accurate estimation of the optical and electrochemical properties of the novel functionalized isoindigo derivatives synthesized, precise computational methods were used including periodic and non-periodic density functional theory (DFT) and time-dependent DFT.

Publication Date


  • 2022

Citation


  • Khalili, G., Rezaei, F., & Keller, P. A. (2022). The Synthesis and Theoretical Investigation of Functionalized N,N′-Arylthioalkylisoindigo Derivatives. ChemistrySelect, 7(1). doi:10.1002/slct.202103008

Scopus Eid


  • 2-s2.0-85123689326

Web Of Science Accession Number


Volume


  • 7

Issue


  • 1