Basumatary Biju, Rai Jyoti, Reddy R V Ramana, Sankar Jeyaraman
Department of Chemistry, Indian Institute of Science Education and Research, M.P, Indore bypass road, Bhopal, 462066, India.
Chemistry. 2017 Dec 11;23(69):17458-17462. doi: 10.1002/chem.201704457. Epub 2017 Nov 23.
One-electron oxidation of a Ga -corrole with N(4-BrC H ) SbCl resulted in an air-stable non-innocent Ga -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.
用N(4 - BrC₆H₅)₃SbCl对一种镓-卟啉进行单电子氧化，得到了一种空气稳定的非单纯镓-卟啉自由基。2,17 - 双甲酰基-5,10,15 - 三(五氟苯基)卟啉镓(III)(氯)自由基([3 - Cl]⁻)的单晶X射线晶体学研究表明未成对电子发生了离域，电子自旋共振(ESR)光谱和自旋密度分布图进一步证实了这一点。此外，核独立化学位移(NICS)、各向异性诱导电流密度(AICD)和谐振子芳香性模型(HOMA)支持了一个[17]π电子共轭(或反芳香性)自由基。
