Crystal Structure and Electron Configuration of {MNO}⁸ Heme Complexes

Hu, Bin1,7; Lu, Jia5; Ding, Wei1,6; Liu, Yanhong2; Shroyer, Mark H.3; Schulz, Charles E.3; Xu, Wei4; Wang, Junwen8; Li, Jianfeng1

2024-09-01

10.1021/acs.inorgchem.4c02284

INORGANIC CHEMISTRY   影响因子和分区

0020-1669

1520-510X

Although research on nitrosyl (NO) heme complexes and their one-electron reduced form, nitroxyl (or nitroxyl anion, NO-) derivatives, has been going on for decades, there are still disagreements about the electrical configuration of nitroxyl complexes, and the majority of the work on this topic is based on theoretical calculations. Following the initial nitroxyl iron porphyrin crystal structure, we present two further polymorphic forms of [CoCp2][Fe(TFPPBr8)(NO)]. Using the same completely halogenated porphyrin ligand, we also present two polymorphic forms of nitrosyl cobalt(II) complexes, which are another sort of {MNO}(8) structure. In addition to the EXANES and EPR studies of these {FeNO}(7) and {CoNO}(8) complexes, the {FeNO}(8) [CoCp2][Fe(TFPPBr8)(NO)] complex is also investigated by temperature-dependent Mossbauer experiments for the first time with the {FeNO}(7) precursor as a control sample. The analysis of the Mossbauer and crystal structural parameters between these two types of {MNO}(8) (M = Fe or Co) species and previously reported analogous ones allow us to conclude that the electronic configuration of [Fe(TFPPBr8)(NO)](-) is best described as an intermediate between low-spin Fe(II)-NO- and Fe(I)-NO center dot.

SCI

英语

其他

National Key R&D Program of China[2022YFA1405100] ; National Natural Science Foundation of China["21771176","21977093"] ; Strategic Priority Research Program of Chinese Academy of Sciences[XDB28000000]

Chemistry

Chemistry, Inorganic & Nuclear

WOS:001314351800001

AMER CHEMICAL SOC

Web of Science

1.Univ Chinese Acad Sci, Coll Mat Sci & Optoelect Technol, Ctr Mat Sci & Optoelect Engn, Beijing 101408, Peoples R China
2.Chinese Acad Sci, Tech Inst Phys & Chem, Beijing 100190, Peoples R China
3.Knox Coll, Dept Phys, Galesburg, IL 61401 USA
4.Inst High Energy Phys, Beijing Synchrotron Radiat Facil, Beijing 100049, Peoples R China
5.China Inst Water Resources & Hydropower Res, Beijing 100038, Peoples R China
6.Beijing Spacecrafts Co Ltd, Beijing 100094, Peoples R China
7.Southern Univ Sci & Technol, Dept Mat Sci & Engn, Shenzhen 518055, Peoples R China
8.Shanxi Normal Univ, Sch Chem & Mat Sci, Key Lab Magnet Mol & Magnet Informat Mat, Minist Educ, Taiyuan 030031, Peoples R China

Hu, Bin,Lu, Jia,Ding, Wei,et al. Crystal Structure and Electron Configuration of {MNO}⁸ Heme Complexes[J]. INORGANIC CHEMISTRY,2024.

Hu, Bin.,Lu, Jia.,Ding, Wei.,Liu, Yanhong.,Shroyer, Mark H..,...&Li, Jianfeng.(2024).Crystal Structure and Electron Configuration of {MNO}⁸ Heme Complexes.INORGANIC CHEMISTRY.

Hu, Bin,et al."Crystal Structure and Electron Configuration of {MNO}⁸ Heme Complexes".INORGANIC CHEMISTRY (2024).