Sm@C-2V,(19138)-C-76: A Non-IPR Cage Stabilized by a Divalent Metal Ion
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F15%3A10315226" target="_blank" >RIV/00216208:11310/15:10315226 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1021/ic502911v" target="_blank" >http://dx.doi.org/10.1021/ic502911v</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/ic502911v" target="_blank" >10.1021/ic502911v</a>
Alternative languages
Result language
angličtina
Original language name
Sm@C-2V,(19138)-C-76: A Non-IPR Cage Stabilized by a Divalent Metal Ion
Original language description
Although a non-IPR fullerene cage is common for endohedral cluster fullerenes, it is very rare for conventional endofullerenes M@C-2n, probably because of the minimum geometry fit effect of the endohedral single metal ion. In this work, we report on a new non-IPR endofullerene Sm@C-2v(19138)-C-76, including its structural and electrochemical features. A combined study of single-crystal X-ray diffraction and DFT calculations not only elucidates the non-IPR cage structure of C-2v(19138)-C-76 but also suggests that the endohedral Sm2+ ion prefers to reside along the C-2 cage axis and close to the fused pentagon unit in the cage framework, indicative of a significant metal-cage interaction, which alone can stabilize the non-IPR cage. Furthermore, electrochemical studies reveal the fully reversible redox behaviors and small electrochemical gap of Sm@C-2v(19138)-C-76, which are comparable to those of IPR species Sm@D-3h-C-74.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
<a href="/en/project/7F14392" target="_blank" >7F14392: Phosphine Ligands for Environmentally Friendly C-C Bond Forming Reactions</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2015
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
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Volume of the periodical
54
Issue of the periodical within the volume
9
Country of publishing house
US - UNITED STATES
Number of pages
6
Pages from-to
4243-4248
UT code for WoS article
000354075600011
EID of the result in the Scopus database
2-s2.0-84929154537