Three new isomers of [C2H6O]+˙: The radical cations [CH3O(H)CH2]+˙, [CH3CHOH2]+˙ and a low-energy isomer of unassigned structure |
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Authors: | Peter C Burgers John L Holmes Johan K Terlouw Ben van Baar |
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Abstract: | Three new C2H6O]+˙ ions have been generated in the gas phase by appropriate dissociative ionizations and characterized by means of their metastable and collisionally induced fragmentations. The heats of formation, ΔHf0, of the two ions which were assigned the structures CH3O(H)CH2]+˙ and CH3CHOH2]+˙ could not be measured. The third isomer, to which the structure \documentclass{article}\pagestyle{empty}\begin{document}$ {\rm CH}_{\rm 2} = \mathop {\rm C}\limits^{\rm .} {\rm H} \cdot \cdot \cdot \mathop {\rm H}\limits^ + \cdot \cdot \cdot {\rm OH}_{\rm 2} $\end{document} is tentatively assigned, was measured to have ΔHf0 = 732±5 kJ mol?1, making it the C2H6O]+˙ isomer of lowest experimental heat of formation. It was found that the exothermic ion–radical recombinations CH2OH]++CH3˙→CH3O(H)CH2]+˙ and \documentclass{article}\pagestyle{empty}\begin{document}$ {\rm CH}_{\rm 3} \mathop {\rm C}\limits^{\rm + } {\rm HOH + H}^{\rm .} $\end{document}→CH3CHOH2]+˙ have large energy barriers, 1.4 and ?0.9 eV, respectively, whereas the recombinations yielding CH3CH2OH]+˙ have little or none. |
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