title: Conversion of electron configuration of iron ion through core contraction of porphyrin: implications for heme distortion.
abstract: It was demonstrated experimentally that nonplanar iron porphyrins can be induced to undergo a conversion in their electronic configuration to form a cross-hybrid transition by compressing the macrocyclic core size for the central metal ion. A series of monostrapped iron porphyrins were used as model systems, and their electronic properties were probed using electron spin resonance and differential spectral analyses. These results indicate that the formation of a cross-hybrid transition stage is related to the stability of the high-valence state and potent oxidizing ability of the central iron ion.
authors: School of Chemistry and Chemical Engineering, and Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education, Hunan University of Science and Technology, Xiangtan 411201, China. zhouzaichun@hnust.edu.cn
authors: Zaichun
authors: Z
authors: Zhou
authors: Qiuhua
authors: Q
authors: Liu
authors: Ziqiang
authors: Z
authors: Yan
authors: Ge
authors: G
authors: Long
authors: Xi
authors: X
authors: Zhang
authors: Chenzhong
authors: C
authors: Cao
authors: Rongqing
authors: R
authors: Jiang
mesh_terms: D018360:Crystallography, X-Ray; D004578:Electron Spin Resonance Spectroscopy; D006418:Heme / Q000737:chemistry*; D007501:Iron / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure; D010084:Oxidation-Reduction
chemical_list: D006418:Heme; D007501:Iron