Evidence for a [17] π-Electronic Full-Fledged Non-innocent Gallium(III)-Corrole Radical.
Biju BasumataryJyoti RaiR V Ramana ReddyJeyaraman SankarPublished in: Chemistry (Weinheim an der Bergstrasse, Germany) (2017)
One-electron oxidation of a GaIII -corrole with N(4-BrC6 H4 )3 SbCl6 resulted in an air-stable non-innocent GaIII -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.