Ho2O@C-74: Ho2O Cluster Expands within a Small Non-IPR Fullerene Cage of C-2(13333)-C-74

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F19%3A10403682" target="_blank" >RIV/00216208:11310/19:10403682 - isvavai.cz</a>
Result on the web
<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=pLNsHzlliU" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=pLNsHzlliU</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.inorgchem.8b03145" target="_blank" >10.1021/acs.inorgchem.8b03145</a>

Result language
angličtina
Original language name
Ho2O@C-74: Ho2O Cluster Expands within a Small Non-IPR Fullerene Cage of C-2(13333)-C-74
Original language description
Steering the cluster configuration inside a fullerene cage has been one of most interesting topics in the field of fullerenes, since the physical property of a cluster fullerene may be modified accordingly. It has been well-recognized that the cluster configuration can be tuned via altering the cage size. Typically, the carbide cluster and the oxide cluster are experimentally seen to be curled up within a small fullerene cage whereas they are expanded in a large cage. In this work, a new oxide cluster fullerene Ho2O@C-2(13333)-C-74 is prepared and isolated. The single crystal X-ray diffraction (XRD) study reveals that the Ho2O cluster, however, expands within the small non-IPR cage of C-2(13333)-C-74 with a Ho-O-Ho angle of >170 degrees indicating that cluster configuration is highly related to the cage shape and cage structure as well. The DFT computation demonstrates that the cluster-to cage electron-transfer obviously enhances the aromaticity of the motif containing the fused-pentagon pair and hence stabilizes the non-IPR cage of C-2(13333)-C-74. In addition, the electrochemical and magnetic properties of Ho(2)OpC(2)(13333)-C-74 are studied to further investigate the effect of endohedral Ho2O cluster.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry

Project
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Continuities
S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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