Magnetic Transitions in Iron Porphyrin Halides by Inelastic Neutron Scattering and Ab Initio Studies of Zero-Field Splittings

Zero-field splitting (ZFS) parameters of nondeuterated metalloporphyrins [Fe(TPP)X] (X = F, Br, I; H₂TPP = tetraphenylporphyrin) have been directly determined by inelastic neutron scattering (INS). The ZFS values are D = 4.49(9) cm⁻¹ for tetragonal polycrystalline [Fe(TPP)F], and D = 8.8(2) cm⁻¹, E...

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Bibliographic Details

Published in:	Inorganic chemistry Vol. 54; no. 20; pp. 9790 - 9801
Main Authors:	Stavretis, Shelby E, Atanasov, Mihail, Podlesnyak, Andrey A, Hunter, Seth C, Neese, Frank, Xue, Zi-Ling
Format:	Journal Article
Language:	English
Published:	United States 19.10.2015
Subjects:	Iron - chemistry Magnetic Fields Metalloporphyrins - chemistry Molecular Conformation Neutrons Quantum Theory Scattering, Radiation
ISSN:	1520-510X
Online Access:	Get more information
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