Electronic Configurations and the Effect of Peripheral Substituents of (Nitrosyl)iron Corroles
文献类型：期刊论文
| 作者 | Ren, Wanjie; Schulz, Charles E.; Shroyer, Mark H.; Xu, Wei,; Xi, Shibo; An, Pengfei ; Guo, Wenping; Li, Jianfeng
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| 刊名 | INORGANIC CHEMISTRY
 |
| 出版日期 | 2022 |
| 卷号 | 61期号:50页码:20385-20396 |
| ISSN号 | 0020-1669 |
| DOI | 10.1021/acs.inorgchem.2c03026 |
| 文献子类 | Article |
| 英文摘要 | There have been debates on the electronic configurations of (nitrosyl)iron corroles for decades. In this work, pentacoordinate [Fe(TPC)(NO)], [Fe(TTC)(NO)], and [Fe(TpFC)(NO)] with different para-substituted phenyl groups (TPC, TTC, and TpFC = tris(phenyl, 4-tolyl, or 4-fluorophenyl)corrole, respectively) have been isolated and investigated by various techniques including single-crystal X-ray diffraction, UV-vis spectroscopy, cyclic voltammetry, Fourier transform infrared, NMR, and absorption fine structure spectroscopy. Multitemperature and high-magnetic-field (3, 6, and 9 T) Mössbauer spectroscopy was also applied on all three complexes, which determined the S = 0 diamagnetic states, consistent with the magnetic susceptibility and electron paramagnetic resonance measurements. Density functional theory predictions by different functionals were compared, and the new calculation strategy, which gave remarkable agreement of the experimental Mössbauer parameters (ΔEQand δ), allowed further assignment on the electronic configuration of {FeNO}6-(corrole3-) with antiferromagnetically coupled (S = 1/2, FeIII) and (S = 1/2, NO). Correlated sequences between the electronic donating/withdrawing capability of para substituents and the reduction/oxidation potentials, metal out-of-plane displacements (Δ4and Δ23), and Mössbauer parameters (Vzzand ΔEQ) were also established, which suggests the strong effects of peripheral substituents. copy; 2022 American Chemical Society. © 2022 American Chemical Society. All rights reserved. |
| 电子版国际标准刊号 | 1520-510X |
| 语种 | 英语 |
| WOS记录号 | WOS:000893549900001 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/299552]  |
| 专题 | 高能物理研究所_多学科研究中心 |
| 作者单位 | 中国科学院高能物理研究所 |
| 推荐引用方式 GB/T 7714 | Ren, Wanjie,Schulz, Charles E.,Shroyer, Mark H.,et al. Electronic Configurations and the Effect of Peripheral Substituents of (Nitrosyl)iron Corroles[J]. INORGANIC CHEMISTRY,2022,61(50):20385-20396. |
| APA | Ren, Wanjie.,Schulz, Charles E..,Shroyer, Mark H..,Xu, Wei,.,Xi, Shibo.,...&Li, Jianfeng.(2022).Electronic Configurations and the Effect of Peripheral Substituents of (Nitrosyl)iron Corroles.INORGANIC CHEMISTRY,61(50),20385-20396. |
| MLA | Ren, Wanjie,et al."Electronic Configurations and the Effect of Peripheral Substituents of (Nitrosyl)iron Corroles".INORGANIC CHEMISTRY 61.50(2022):20385-20396. |
入库方式： OAI收割
来源：高能物理研究所
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