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Issue 30, 2009
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Translational, rotational and vibrational energy partitioning in the sequential loss of carbon dimers from fullerenes

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Abstract

The sequential thermal dissociation of up to five carbon dimers from neutral, singly and doubly charged C60 molecules is theoretically investigated in the framework of phase space theory. Using a semiclassical treatment of vibrations and rotations, we quantify the amount of kinetic energies released in the form of translation, rotation, and vibration under realistic experimental conditions. Our results reveal that translational and vibrational energies of the dimers are nearly equilibrated after a few emissions, whereas the rotational contribution lies far below equipartition. An approximate treatment in which dimers are rotationally and vibrationally frozen essentially leads to the same conclusions.

Graphical abstract: Translational, rotational and vibrational energy partitioning in the sequential loss of carbon dimers from fullerenes

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Publication details

The article was received on 23 Jan 2009, accepted on 29 Apr 2009 and first published on 03 Jun 2009


Article type: Paper
DOI: 10.1039/B901557D
Phys. Chem. Chem. Phys., 2009,11, 6345-6352

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    Translational, rotational and vibrational energy partitioning in the sequential loss of carbon dimers from fullerenes

    F. Calvo, S. Díaz-Tendero and M.-A. Lebeault, Phys. Chem. Chem. Phys., 2009, 11, 6345
    DOI: 10.1039/B901557D

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