Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 134, Issue 46, Pages 18973-18978Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ja303268w
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Funding
- Air Force Office of Science Research [FA9550-10-1-0071]
- MURI [FA9550-08-1-0400]
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Spin accommodation is demonstrated to play a determining role in the reactivity of silver cluster anions with oxygen. Odd-electron silver clusters are found to be especially reactive, while the anionic 13-atom cluster exhibits unexpected stability against reactivity with oxygen. Theoretical studies show that the odd even selective behavior is correlated with the excitation needed to activate the O-O bond in O-2. Furthermore, by comparison with the reactivity of proximate even-electron clusters, we demonstrate that the inactivity of Ag-13(-) is associated with its large spin excitation energy, ascribed to a crystal-field-like splitting of the orbitals caused by the bilayer atomic structure, which induces a large gap despite not having a magic number of valence electrons.
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