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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, E-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
Physics
Identifiers
URN: urn:nbn:se:umu:diva-93567DOI: 10.1038/srep06171ISI: 000340741700003OAI: oai:DiVA.org:umu-93567DiVA: diva2:749759
Funder
Swedish Research Council, 621-2010-3732
Available from: 2014-09-25 Created: 2014-09-25 Last updated: 2017-12-05Bibliographically approved

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Publisher's full texthttp://www.nature.com/srep/2014/140822/srep06171/full/srep06171.html

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