TY - JOUR
T1 - Evidence for a [17] π-Electronic Full-Fledged Non-innocent Gallium(III)-Corrole Radical
AU - Basumatary, Biju
AU - Rai, Jyoti
AU - Reddy, R. V.Ramana
AU - Sankar, Jeyaraman
N1 - Funding Information:
We thank Subhrajyoti Bhandary, IISER Bhopal, for his help in X-ray analyses. J.S. acknowledges CREST-MHRD (New Delhi) and DST-SERB-EMR/2016/005768 (New Delhi) for research funding. B.B. acknowledges UGC for a SRF Fellowship. J.R. and R.V.R.R. thank IISER (Bhopal) for fellowships.
Publisher Copyright:
© 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
PY - 2017/12/11
Y1 - 2017/12/11
N2 - One-electron oxidation of a GaIII-corrole with N(4-BrC6H4)3SbCl6 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.
AB - One-electron oxidation of a GaIII-corrole with N(4-BrC6H4)3SbCl6 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.
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U2 - 10.1002/chem.201704457
DO - 10.1002/chem.201704457
M3 - Article
C2 - 29044747
AN - SCOPUS:85034813225
VL - 23
SP - 17458
EP - 17462
JO - Chemistry - A European Journal
JF - Chemistry - A European Journal
SN - 0947-6539
IS - 69
ER -