Probing Edge/Support Electronic Cooperativity in Single Edge Fe/Co6Se8 Clusters

This study provides insights into the electronic structure of an atomically precise Fe/Co6Se8 cluster and the extent of redox cooperativity between the Fe active site and the noninnocent Co6Se8 support. Chemical oxidation studies enable the isolation of two types of oxidized Fe/Co6Se8 clusters, in w...

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Published inInorganic chemistry Vol. 62; no. 26; pp. 10497 - 10503
Main Authors Mitchell, Benjamin S., Chirila, Andrei, Anderton, Kevin J., Kaminsky, Werner, Velian, Alexandra
Format Journal Article
LanguageEnglish
Published American Chemical Society 03.07.2023
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Summary:This study provides insights into the electronic structure of an atomically precise Fe/Co6Se8 cluster and the extent of redox cooperativity between the Fe active site and the noninnocent Co6Se8 support. Chemical oxidation studies enable the isolation of two types of oxidized Fe/Co6Se8 clusters, in which the nature of the counterion (I– or OTf–) significantly impacts the structural interactions between Fe and the Co6Se8 unit. Experimental characterization by single crystal X-ray diffraction, 57Fe Mössbauer spectroscopy, and 31P­{1H} NMR spectroscopy is complemented by computational analysis. In aggregate, the study reveals that upon oxidation, the charge is shared between the Fe edge site and the Co6Se8 core.
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ISSN:0020-1669
1520-510X
DOI:10.1021/acs.inorgchem.3c01661