All

What are you looking for?

All
Projects
Results
Organizations

Quick search

  • Projects supported by TA ČR
  • Excellent projects
  • Projects with the highest public support
  • Current projects

Smart search

  • That is how I find a specific +word
  • That is how I leave the -word out of the results
  • “That is how I can find the whole phrase”

Ho2O@D-3(85)-C-92: Highly Stretched Cluster Dictated by a Giant Cage and Unexplored Isomerization

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F20%3A10419524" target="_blank" >RIV/00216208:11310/20:10419524 - isvavai.cz</a>

  • Result on the web

    <a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=da0byBRuPH" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=da0byBRuPH</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1021/acs.inorgchem.0c01512" target="_blank" >10.1021/acs.inorgchem.0c01512</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Ho2O@D-3(85)-C-92: Highly Stretched Cluster Dictated by a Giant Cage and Unexplored Isomerization

  • Original language description

    For endohedral metallofullerenes (EMFs), it has been well established that the cage shape and size should match those of the endohedral cluster. As a result, sufficient cluster-cage interaction can be achieved, which is essential for mutual stabilization. Nevertheless, how a small endohedral cluster nests in a giant fullerene has been less explored. Herein, we report a pair of large oxide-cluster fullerene (OCF) isomers, denoted as Ho2O@C-92-I and -II. Crystallographic studies reveal that major isomer-I possesses a D-3(85)-C-92 cage with a highly stretched Ho2O cluster inside, which contributes to achieving regular metal-cage contacts. Density functional theory (DFT) computations also reveal the predominant abundance of the D-3(85) isomer relative to the other two possible minor species including C-1(67) and C-2(64) isomers. Moreover, electrochemical (EC) studies verify that the isomers exhibit almost identical redox behaviors, indicating their similar cage structures. On the basis of the remarkable topological similarity of D-3(85) and C-1(67) isomers, isomer-II is likely to be Ho2O@C-1(67)-C-92, though it remains to be confirmed. Our studies thus provide new insights into the cage-cluster interplay and cage isomerization, both contributing to a better understanding of large EMFs.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    10403 - Physical chemistry

Result continuities

  • Project

  • Continuities

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

Others

  • Publication year

    2020

  • Confidentiality

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

Data specific for result type

  • Name of the periodical

    Inorganic Chemistry

  • ISSN

    0020-1669

  • e-ISSN

  • Volume of the periodical

    59

  • Issue of the periodical within the volume

    15

  • Country of publishing house

    US - UNITED STATES

  • Number of pages

    8

  • Pages from-to

    11020-11027

  • UT code for WoS article

    000558727500064

  • EID of the result in the Scopus database

    2-s2.0-85088364573