Phenyl Derivative of Iron 5,10,15-Tritolylcorrole

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• 作者：Sara Nardis ; Daniel O. Cicero ; Silvia Licoccia ; Giuseppe Pomarico ; Beatrice Berionni Berna ; Marco Sette ; Giampaolo Ricciardi ; Angela Rosa ; Frank R. Fronczek ; Kevin M. Smith ; Roberto Paolesse
• 刊名：Inorganic Chemistry
• 出版年：2014
• 出版时间：April 21, 2014
• 年：2014
• 卷：53
• 期：8
• 页码：4215-4227
• 全文大小：715K
• 年卷期：v.53,no.8(April 21, 2014)
• ISSN：1520-510X

文摘

The phenyl鈥搃ron complex of 5,10,15-tritolylcorrole was prepared by reaction of the starting chloro鈥搃ron complex with phenylmagnesium bromide in dichloromethane. The organometallic complex was fully characterized by a combination of spectroscopic methods, X-ray crystallography, and density functional theory (DFT) calculations. All of these techniques support the description of the electronic structure of this phenyl鈥搃ron derivative as a low-spin iron(IV) coordinated to a closed-shell corrolate trianion and to a phenyl monoanion. Complete assignments of the ¹H and ¹³C NMR spectra of the phenyl鈥搃ron derivative and the starting chloro鈥搃ron complex were performed on the basis of the NMR spectra of the regioselectively 尾-substituted bromo derivatives and the DFT calculations.