Evidence For A [17] -Electronic Full-Fledged Non-Innocent Gallium(Iii)-Corrole Radical

CHEMISTRY-A EUROPEAN JOURNAL(2017)

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摘要
One-electron oxidation of a Ga-III-corrole with N(4-BrC6H4)(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] -electron-conjugated (or antiaromatic) radical.
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关键词
antiaromaticity, corroles, gallium, non-innocence, radicals
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