1H NMR study of ternary ammonia-alkali metal-graphite intercalation compounds |
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| Affiliation: | 1. School of Chemical Engineering, Northwest University, Xi''an, China;2. International Science & Technology Cooperation Base for Clean Utilization of Hydrocarbon Resources, Chemical Engineering Research Center of the Ministry of Education for Advanced Use Technology of Shanbei Energy, Collaborative Innovation Center for Development of Energy and Chemical Industry in Northern Shaanxi, Northwest University, Xi''an, China;3. State Key Laboratory of Fine Chemicals, PSU-DUT Joint Center for Energy Research, School of Chemical Engineering, Dalian University of Technology, Dalian, China;4. Clean Fuels & Catalysis Program, EMS Energy Institute, Departments of Energy and Mineral Engineering and of Chemical Engineering, The Pennsylvania State University, University Park, PA, United States;5. Department of Chemistry, Faculty of Science, The Chinese University of Hong Kong, Shatin, NT, Hong Kong, China;1. International Scientific and Technological Cooperation Base for Clean Utilization of Hydrocarbon Resources, Chemical Engineering Research Center of the Ministry of Education for Advance Use Technology of Shanbei Energy, Shaanxi Research Center of Engineering Technology for Clean Coal Conversion, Collaborative Innovation Center for Development of Energy and Chemical Industry in Northern Shaanxi, School of Chemical Engineering, Northwest University, Xi''an, China;2. State Key Laboratory of Fine Chemicals, PSU-DUT Joint Center for Energy Research, School of Chemical Engineering, Dalian University of Technology, Dalian, China;3. EMS Energy Institute, PSU-DUT Joint Center for Energy Research, Departments of Energy & Mineral Engineering and of Chemical Engineering, Pennsylvania State University, University Park, PA, United States |
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| Abstract: | For the first-stage ternary ammonia-alkali metal-graphite intercalation compounds M(NH3)xC24 (x ∼ 4, M = K, Rb, Cs), three sets of triplet 1H NMR spectral lines have been observed at various temperatures and orientations due to the 1H-1H and 14N-1H dipolar interactions. We have inferred the structures of these compounds as mobile (liquid-like) intercalant layers of planar M(NH3)4 ions in the between the carbon layers. For the intercalated ammonia molecules, the potential barrier is ∼ 0.2 eV and the molecular geometry is very close to the free NH3 in gas phase. |
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