Thermal stability of cubane C8H8
Mesoscale and Nanoscale Physics
2009-11-13 v1 Other Condensed Matter
Abstract
The reasons for the anomalously high thermal stability of cubane C8H8 and the mechanisms of its decomposition are studied by numerically simulating the dynamics of this metastable cluster at T = 1050 - 2000 K using a tight-binding potential. The decomposition activation energy is found from the temperature dependence of the cubane lifetime obtained from the numerical experiment; this energy is fairly high, Ea = 1.8 - 2.0 eV. The decomposition products are, as a rule, either C6H6 and C2H2 molecules or the isomer C8H8 with a lower energy.
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Cite
@article{arxiv.0903.1806,
title = {Thermal stability of cubane C8H8},
author = {M. M. Maslov and D. A. Lobanov and A. I. Podlivaev and L. A. Openov},
journal= {arXiv preprint arXiv:0903.1806},
year = {2009}
}
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5 figures