D-isotope-labelled n-butane cations in CF3CCl3 and in CF2ClCFCl2: Structure and reactions at low temperature |
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| Authors: | M. Lindgren A. Lund G. Dolivo |
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| Affiliation: | Department of Physics and Measurement Technology, Linkoping University, S-581 83 Linkoping, Sweden;Institute of Physical Chemistry, Federal Institute of Technology, EPFL-Ecublens CH-1015 Lausanne, Switzerland |
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| Abstract: | Cations of n-butane, n-butane-1,4-d6, -d4, -d2 and n-butane-2,3-d4 produced by X-irradiation of CF2ClCFCl2 and CF3CCl3 3 matrices containing 1–2 mole% of solute have been investigated by ESR spectroscopy. The measurements have been performed at 77–130 K. The results confirm that the two largest couplings are assigned to two protons on the methyl groups. Smaller couplings have been resolved in CF3CCl3 and assigned to specific H atoms. A geometry with a non-planar carbon skeleton is proposed. Partly deuterated methyl groups give rise to rotational isomers. Thermal and photoinduced decompositions producing 2-butyl radicals and 2-butane cations have been further studied. |
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