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Issue 43, 2012
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A new isomer of C20 and a way to a new C240

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Abstract

Here we show that the dynamic simulation of a molecular collision can give insight into new molecular species. In this way, a new stable isomer of C20 (IV) has been found. It is planar with pentagonal form. This isomer is high in energy compared to the three most stable previously known isomers of C20: cage (I), bowl (II) and ring (III). Most interestingly, we show that using this new isomer it is possible to construct a macrobucky C240 (V) that is also stable. The electronic structure of this new isomer of C240 is very different from properties of the C240 fullerene. Contrary to the C240 fullerene, in the new isomer the π electrons are localized.

Graphical abstract: A new isomer of C20 and a way to a new C240

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Publication details

The article was received on 23 May 2012, accepted on 11 Jul 2012 and first published on 12 Jul 2012


Article type: Paper
DOI: 10.1039/C2CP41691C
Phys. Chem. Chem. Phys., 2012,14, 14810-14814

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    A new isomer of C20 and a way to a new C240

    C. Cárdenas, F. Muñoz, M. Muñoz, A. Bernardin and P. Fuentealba, Phys. Chem. Chem. Phys., 2012, 14, 14810
    DOI: 10.1039/C2CP41691C

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