Evidence for a [17] π‐Electronic Full‐Fledged Non‐innocent Gallium(III)‐Corrole Radical. Issue 69 (23rd November 2017)

• Record Type: Journal Article
• Authors: Basumatary, Biju; Rai, Jyoti; Reddy, R. V. Ramana; Sankar, Jeyaraman
• Is Part Of: Chemistry. Volume 23:Issue 69(2017)
• Page Start: 17458
• Page End: 17462
• Publication Date: 2017-11-23
• Subjects: antiaromaticity -- corroles -- gallium -- non-innocence -- radicals; Chemistry -- Periodicals; 540
• DOI: 10.1002/chem.201704457
• Languages: English
• ISSNs: 0947-6539

Abstract

Abstract: One‐electron oxidation of a Ga III ‐corrole with N(4‐BrC6 H4 )3 SbCl6 resulted in an air‐stable non‐innocent Ga III ‐corrole radical. The single‐crystal X‐ray crystallography of the 2, 17‐bis‐formyl‐5, 10, 15‐tris(pentafluorophenyl)corrolato gallium(III)(chloride) radical ([3‐Cl] . ) revealed delocalization of the unpaired electron, which was further confirmed by electron spin resonance (ESR) spectroscopy and spin density distribution plot. In addition, the nucleus‐independent chemical shift (NICS), anisotropy‐induced current density (AICD) and harmonic oscillator model of aromaticity (HOMA) supported a [17] π‐electron‐conjugated (or antiaromatic) radical. Abstract : Existence of a Ga III ‐corrole radical, a paradigm of a full‐fledged non‐innocent corrole with main‐group elements, was unambiguously established by one‐electron oxidation of a Ga III ‐corrole with N(4‐BrC6 H4 )3 SbCl6 .