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Inicio  /  Energies  /  Vol: 5 Núm: 6Pages1 Par: June (2012)  /  Artículo
ARTÍCULO
TITULO

Intermolecular Hydrogen Transfer in Isobutane Hydrate

Naohiro Kobayashi    
Takashi Minami    
Atsushi Tani    
Mikio Nakagoshi    
Takeshi Sugahara    
Kei Takeya and Kazunari Ohgaki    

Resumen

Electron spin resonance (ESR) spectra of butyl radicals induced with ?-ray irradiation in the simple isobutane (2-methylpropane) hydrate (prepared with deuterated water) were investigated. Isothermal annealing results of the ?-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 ?-ray-irradiated propane hydrate with deuterated water.

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