4H-dithieno[2,3-b:3',2'-e][1,4]thiazines--synthesis and electronic properties of a novel class of electron rich redox systems

Chem Commun (Camb). 2012 Jul 25;48(58):7271-3. doi: 10.1039/c2cc32731g. Epub 2012 Jun 14.

Abstract

Quantum chemical screening reveals that 4H-dithieno[2,3-b:3',2'-e][1,4]thiazines possess the highest HOMO among four constitutional isomers, even 0.27 eV higher in energy than the well established 10H-phenothiazine. N-Substituted 4H-dithieno[2,3-b:3',2'-e][1,4]thiazines are readily accessible by twofold Pd-catalyzed amination. According to cyclic voltammetry dithienothiazines are reversibly oxidized and can be considered as new donors for functional π-systems.