title: Effect of the Ruffled Porphyrin Ring on Electronic Structures: Structure and Characterization of [Fe(TalkylP)(OClO3)] and [Fe(TPrP)(THF)2]ClO4(alkyl = Ethyl, Et andn-Propyl, Pr).
abstract: We report the synthesis of Fe(TalkylP)(OClO3)] (alkyl = ethyl and propyl) and [Fe(TPrP)(THF)2]ClO4, which are characterized by UV-vis, EPR, X-ray crystallography, and solid-state magnetic susceptibilities. The macrocycles of all three complexes are ruffled, all of the structural features for [Fe(TEtP(OClO3)] and [Fe(TPrP)(OClO3)] are characteristic of the nearly pure S = 3/2 state, while the structural parameters for [Fe(TPrP)(THF)2]ClO4feature a pure intermediate-spin (S = 3/2) state, which are all consistent with EPR and magnetic data. It is clear from these studies that the ruffled conformation plays a significant role in affecting the extent of S = 3/2 character.
authors.affiliation: Contribution from The Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, and The Department of Physics, Knox College, Galesburg, Illinois 61401.
authors.forename: Ming
authors.initials: M
authors.lastname: Li
authors.forename: Allen G
authors.initials: AG
authors.lastname: Oliver
authors.forename: Teresa J
authors.initials: TJ
authors.lastname: Neal
authors.forename: Charles E
authors.initials: CE
authors.lastname: Schulz
authors.forename: W Robert
authors.initials: WR
authors.lastname: Scheidt