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000057070 084__ $$2WoS$$aPhysics, Atomic, Molecular & Chemical
000057070 1001_ $$0P:(DE-Juel1)VDB4177$$aPrager, M.$$b0$$uFZJ
000057070 245__ $$aMethane clathrate: CH4 quantum rotor state dependent rattling potential
000057070 260__ $$aMelville, NY$$bAmerican Institute of Physics$$c2006
000057070 300__ $$a214703
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000057070 520__ $$aIn methane hydrate the dominant peak in the density of states above 3 meV represents a rattling mode of the guest molecule CH(4) in the large ice cages. This mode shifts from 6.7 meV at T=4.5 K to T=30 K to 7.14 meV with conversion of CH(4) guest molecules into the tunneling ground state. The less symmetric angular density distribution PsiPsi(*) in the excited rotational state compared to the ground state allows the methane to fit better in the orientation dependent cage potential surface. This leads to a larger average distance to the cage-forming molecules with a weaker potential and a reduced rattling energy. A two state single particle model with characteristic rattling energies of 5.20 meV for pure T-methane and 7.3 meV for pure A-methane weighted by the population factors can fit the data.
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000057070 9131_ $$0G:(DE-Juel1)FUEK415$$bStruktur der Materie$$kP55$$lGroßgeräteforschung mit Photonen, Neutronen und Ionen$$vGroßgeräte für die Forschung mit Photonen, Neutronen und Ionen (PNI)$$x1
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