Facile Synthesis of an Extensive Family of Sc2O@C2n (n = 35-47) and Chemical Insight into the Smallest Member of Sc2O@C2(7892)-C70

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F14%3A10284420" target="_blank" >RIV/00216208:11310/14:10284420 - isvavai.cz</a>
Result on the web
<a href="http://pubs.acs.org/doi/pdf/10.1021/jp509975w" target="_blank" >http://pubs.acs.org/doi/pdf/10.1021/jp509975w</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/jp509975w" target="_blank" >10.1021/jp509975w</a>

Result language
angličtina
Original language name
Facile Synthesis of an Extensive Family of Sc2O@C2n (n = 35-47) and Chemical Insight into the Smallest Member of Sc2O@C2(7892)-C70
Original language description
An extensive family of oxide cluster fullerenes (OCFs) Sc2O@C(2)n (n = 35-47) has been facilely produced for the first time by introducing CO2 as the oxygen source. Among this family, Sc2O@C-70 was identified as the smallest OCF and therefore isolated and characterized by mass spectrometry, Sc-45 nuclear magnetic resonance, UV-vis-near-infrared absorption spectroscopy, cyclic voltammetry, and density functional theory calculations. The combined experimental and computational studies reveal a non-isolated pentagon rule isomer Sc2O@C-2(7892)-C-70 with reversible oxidative behavior and lower bandgap relative to that of Sc2S@C-2(7892)-C-70, demonstrating a typical example of unexplored OCF and underlining its cluster-dependent electronic properties.
Czech name
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Czech description
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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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Project
<a href="/en/project/GAP208%2F10%2F1724" target="_blank" >GAP208/10/1724: Molecular simulation studies of structure and dynamics of ice surfaces in the presence of impurities and atmospheric pollutants</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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