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Mapping intermolecular bonding in C60
Umeå University, Faculty of Science and Technology, Department of Physics.ORCID iD: 0000-0003-0462-6206
2014 (English)In: Scientific Reports, ISSN 2045-2322, Vol. 4, 06171- p.Article in journal (Refereed) Published
Abstract [en]

The formation of intermolecular bonds in C60 has been investigated in detail at pressures below 2.2 GPa and up to 750 K. Fullerene samples were heated in a temperature gradient to obtain data on the formation of dimers and low-dimensional polymers along isobars. Intermolecular bonding was analyzed ex situ by Raman scattering, using both intramolecular modes and intermolecular stretching modes. Semi-quantitative reaction maps are given for the formation of dimers and chains. The activation energy for dimer formation decreases by 0.2 meV pm-1 when intermolecular distances decrease and dimer formation is noticeably affected by the rotational state of molecules. Above 400-450 K larger oligomers are formed; below 1.4 GPa most of these are disordered, with small domains of linear chains, but above this the appearance of stretching modes indicates the existence of ordered one-dimensional polymers. At the highest pressures and temperatures two-dimensional polymers are also observed.

Place, publisher, year, edition, pages
Nature Publishing Group, 2014. Vol. 4, 06171- p.
Keyword [en]
Fullerenes, fullerite, C60, high pressure, polymerization, dimer, 1D polymer, 2D polymer, Raman scattering, molecular rotation, molecular orientation, cycloaddition reaction, high temperature, intermolecular bonding, molecular interactions
National Category
Condensed Matter Physics
Research subject
URN: urn:nbn:se:umu:diva-93567DOI: 10.1038/srep06171ISI: 000340741700003OAI: diva2:749759
Swedish Research Council, 621-2010-3732
Available from: 2014-09-25 Created: 2014-09-25 Last updated: 2014-09-30Bibliographically approved

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