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Air-stable, electron-deficient Fe(II) catalytic porphyrins. Characterization and molecular structures of rare high spin Fe(II) hexacoordinated porphyrins. 2002

Kathleen M Barkigia, and Magali Palacio, and Yu Sun, and Marc Nogues, and Mark W Renner, and François Varret, and Pierrette Battioni, and Daniel Mansuy, and Jack Fajer
Materials Science Department, Brookhaven National Laboratory, Upton, NY 11973-5000, USA.

The synthesis, characterization, and molecular structures of the first air-stable, hexacoordinated high spin Fe(II) porphyrins (1) with axial alcohols are reported (1 = Fe(II) meso-tetrakis(o-dichlorophenyl)-beta-octanitroporphyrin). The structure of 1 with two axial waters is also presented. The very different conformations and metrics observed with the two types of ligands illustrate the acute interplay between ligands, conformations, and spin states in Fe porphyrins.

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