Synthesis of a quinoidal dithieno[2, 3-d;2′, 3′-d]benzo[2, 1-b;3, 4-b′]-dithiophene based open-shell singlet biradicaloid. Issue 1 (7th November 2016)

• Record Type: Journal Article
• Authors: Xia, Debin; Keerthi, Ashok; An, Cunbin; Baumgarten, Martin
• Is Part Of: Organic chemistry frontiers. Volume 4:Issue 1(2017)
• Page Start: 18
• Page End: 21
• Publication Date: 2016-11-07
• Subjects: Chemistry, Organic -- Periodicals; 547.005
• DOI: 10.1039/c6qo00543h
• Languages: English
• ISSNs: 2052-4110

Abstract

Abstract : A fused heteroacene derivative, bis(dicyanomethylene)-end-capped-dithieno[2, 3- d ;2′, 3′- d ]benzo[2, 1- b ;3, 4- b ′]-dithiophene (4CN-DT m BDT ) was synthesized. Abstract : A fused heteroacene derivative, bis(dicyanomethylene)-end-capped-dithieno[2, 3- d ;2′, 3′- d ]benzo[2, 1- b ;3, 4- b ′]-dithiophene (4CN-DT m BDT ) was synthesized. Its open-shell biradical character in the ground state is studied by a combination of electron paramagnetic resonance (EPR) and nuclear magnetic resonance (NMR). Structural assignment was verified with single crystal X-ray diffraction analysis. A highly stable biradicaloid with a low energy gap and low LUMO level is achieved.