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Energies 2012, 5(6), 1705-1712; doi:10.3390/en5061705

Intermolecular Hydrogen Transfer in Isobutane Hydrate

1, 1, 2
1, 1
1 Division of Chemical Engineering, Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka 560-8531, Japan 2 Department of Earth and Space Science, Graduate School of Science, Osaka University, 1-1 Machikaneyama, Toyonaka, Osaka 560-0043, Japan 3 Department of Electrical and Electronic Engineering and Information Engineering, Graduate School of Engineering, Nagoya University, Furo, Chikusa-ku, Nagoya, Aichi 464-8603, Japan
* Author to whom correspondence should be addressed.
Received: 5 April 2012 / Revised: 18 May 2012 / Accepted: 22 May 2012 / Published: 25 May 2012
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Electron spin resonance (ESR) spectra of butyl radicals induced with γ-ray irradiation in the simple isobutane (2-methylpropane) hydrate (prepared with deuterated water) were investigated. Isothermal annealing results of the γ-ray-irradiated isobutane hydrate reveal that the isobutyl radical in a large cage withdraws a hydrogen atom from the isobutane molecule through shared hexagonal-faces of adjacent large cages. During this “hydrogen picking” process, the isobutyl radical is apparently transformed into a tert-butyl radical, while the sum of isobutyl and tert-butyl radicals remains constant. The apparent transformation from isobutyl to tert-butyl radicals is an irreversible first-order reaction and the activation energy was estimated to be 35 ± 3 kJ/mol, which was in agreement with the activation energy (39 ± 5 kJ/mol) of hydrogen picking in the γ-ray-irradiated propane hydrate with deuterated water.
Keywords: hydrogen abstraction; clathrate hydrate; radical; electron spin resonance; activation energy hydrogen abstraction; clathrate hydrate; radical; electron spin resonance; activation energy
This is an open access article distributed under the Creative Commons Attribution License (CC BY) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Kobayashi, N.; Minami, T.; Tani, A.; Nakagoshi, M.; Sugahara, T.; Takeya, K.; Ohgaki, K. Intermolecular Hydrogen Transfer in Isobutane Hydrate. Energies 2012, 5, 1705-1712.

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