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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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 &gt;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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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 &gt;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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

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

Rok uplatnění

2019

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Inorganic Chemistry

ISSN

0020-1669

e-ISSN

—

Svazek periodika

58

Číslo periodika v rámci svazku

8

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

8

Strana od-do

4774-4781

Kód UT WoS článku

000465188700010

EID výsledku v databázi Scopus

2-s2.0-85064408844