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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

physical review. b, condensed matter and materials physics

Ferrimagnetic cagelike<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>Fe</mml:mtext></mml:mrow><mml:mn>4</mml:mn></mml:msub><mml:msub><mml:mtext>O</mml:mtext><mml:mn>6</mml:mn></mml:msub></mml:mrow></mml:math>cluster: Structure determination from infrared dissociation spectroscopy

Ferrimagnetic cagelikeFe4O6cluster: Structure determination from infrared dissociation spectroscopy