Isolation and Crystallographic Characterization of the Labile Isomer of Y@C-82 Cocrystallized with Ni(OEP): Unprecedented Dimerization of Pristine Metallofullerenes

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F16%3A10332115" target="_blank" >RIV/00216208:11310/16:10332115 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.1002/anie.201604121" target="_blank" >http://dx.doi.org/10.1002/anie.201604121</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/anie.201604121" target="_blank" >10.1002/anie.201604121</a>

Result language

angličtina

Original language name

Isolation and Crystallographic Characterization of the Labile Isomer of Y@C-82 Cocrystallized with Ni(OEP): Unprecedented Dimerization of Pristine Metallofullerenes

Original language description

Although the major isomers of M@C-82 (namely M@C-2v(9)-C-82, where M is a trivalent rare-earth metal) have been intensively investigated, the lability of the minor isomers has meant that they have been little studied. Herein, the first isolation and crystallographic characterization of the minor Y@C-82 isomer, unambiguously assigned as Y@Cs(6)-C-82 by cocrystallization with Ni(octaethylporphyrin), is reported. Unexpectedly, a regioselective dimerization is observed in the crystalline state of Y@Cs(6)-C-82. In sharp contrast, no dimerization occurs for the major isomer Y@C-2v(9)-C-82 under the same conditions, indicating a cage-symmetry-induced dimerization process. Further experimental and theoretical results disclose that the regioselective dimer formation is a consequence of the localization of high spin density on a special cage-carbon atom of Y@Cs(6)-C-82 which is caused by the steady displacement of the Yatom inside the Cs(6)-C-82 cage.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

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Project

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Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2016

Confidentiality

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

Name of the periodical

Angewandte Chemie - International Edition

ISSN

1433-7851

e-ISSN

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Volume of the periodical

55

Issue of the periodical within the volume

32

Country of publishing house

DE - GERMANY

Number of pages

5

Pages from-to

9234-9238

UT code for WoS article

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EID of the result in the Scopus database

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