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• Kobayashi, N
• Minami, T
• Tani, A
• Nakagoshi, M
• Sugahara, T
• Takeya, K
• Ohgaki, K
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• Kobayashi, N
• Minami, T
• Tani, A
• Nakagoshi, M
• Sugahara, T
• Takeya, K
• Ohgaki, K
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• Minami, T
• Tani, A
• Nakagoshi, M
• Sugahara, T
• Takeya, K
• Ohgaki, K

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

Article

Intermolecular Hydrogen Transfer in Isobutane Hydrate

Naohiro Kobayashi ¹ , Takashi Minami ¹ , Atsushi Tani ² , Mikio Nakagoshi ¹ , Takeshi Sugahara ¹ , Kei Takeya ³  and Kazunari Ohgaki ^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; in revised form: 18 May 2012 / Accepted: 22 May 2012 / Published: 25 May 2012

Download PDF Full-Text [378 KB, uploaded 25 May 2012 16:01 CEST]

Abstract: 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

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