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

Abstract

AbstractA 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.