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          Institute: Fritz-Haber-Institut     Collection: Molecular Physics     Display Documents

ID: 479852.0, Fritz-Haber-Institut / Molecular Physics
Ferrimagnetic cagelike Fe₄O₆ cluster: Structure determination from infrared dissociation spectroscopy
Authors:Kirilyuk, Andrei; Fielicke, André; Demyk, K.; von Helden, Gert; Meijer, Gerard; Rasing, Th.
Date of Publication (YYYY-MM-DD):2010-07-19
Title of Journal:Physical Review B, Rapid Comm.
Journal Abbrev.:Phys. Rev. B (R)
Issue / Number:2
Start Page:020405 -1
End Page:020405 -4
Copyright:2010 The American Physical Society
Review Status:Peer-review
Audience:Experts Only
Abstract / Description:Cationic iron-oxide clusters of several sizes and stoichiometries have been synthesized and studied isolated in the gas phase. Vibrational spectra of the clusters have been measured using resonant IR-induced dissociation of FenO m+2+ → FenOm+ + O2 in the 250 – 1250 cm−1 range. Density-functional theory was used to investigate the geometry and spin configuration of the representative Fe4O60/+ cluster. Its lowest-energy state was found to be an almost tetrahedral cagelike structure with a ferrimagnetic arrangement of spins, resulting in total cluster spin of S=5 for the neutral cluster. These results were confirmed for Fe4O6+ by the comparison of the
calculated infrared spectrum to the experimentally obtained one.
External Publication Status:published
Document Type:Article
Communicated by:Gerard Meijer
Affiliations:Fritz-Haber-Institut/Molecular Physics
External Affiliations:Radboud University Nijmegen, Institute for Molecules and Materials, NL-6525 AJ Nijmegen, The Netherlands;
Centre d’Étude Spatiale des Rayonnements, Université de Toulouse, F-31028 Toulouse Cedex 4, France;
CNRS, UMR 5187, 9 avenue du Colonel Roche, F-31028 Toulouse Cedex 4, France
Identifiers:URL:http://prb.aps.org/abstract/PRB/v82/i2/e020405 [Open Access CC BY 3.0]
DOI:10.1103/PhysRevB.82.020405 [Open Access CC BY 3.0]
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