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Quadrupolar magic angle spinning NMR spectra fitted using the Pearson IV function
Affiliation:1. Institute of Hydrocarbons Processing, Siberian Branch of Russian Academy of Sciences, Neftezavodskaya st., 54, 644040 Omsk, Russia;2. Omsk F.M. Dostoevsky State University, pr. Mira, 55a, 644077 Omsk, Russia;3. Omsk State Technical University, pr. Mira, 11, 644050 Omsk, Russia;4. Omsk Scientific Centre, Siberian Branch of Russian Academy of Sciences, pr. Marksa, 15, 644024 Omsk, Russia;1. CIEMAT, Plataforma Solar de Almería, Ctra. Senés, km 4, P.O. Box 22, 04200 Tabernas, Almería, Spain;2. Universidad de Almería, Física Aplicada, CITE II-A, 04120 Almería, Spain;3. DLR, German Aerospace Center, Institute of Solar Research, Plataforma Solar de Almería, Ctra. Senés, km 4, P.O. Box 39, 04200 Tabernas, Almería, Spain;1. Eduard-Zintl-Institut für Anorganische und Physikalische Chemie, Technische Universität Darmstadt, Alarich-Weiss-Str. 8, D-64287 Darmstadt, Germany;2. International Tomography Center, Institutskaya 3a, Novosibirsk 630090, Russia;3. Novosibirsk State University, Pirogova 2, Novosibirsk 630090, Russia;4. Leibniz-Institute for Neurobiology, Magdeburg, Germany;5. Dept. of Biometry and Medical Informatics, Otto-von-Guericke University of Magdeburg, Leipziger Str. 44, 39120 Magdeburg, Germany;1. S.D. Ingeniería Química, Universidad Autónoma de Madrid, Av/ Francisco Tomás y Valiente 7, 28049 Madrid, Spain;2. John and Willie Leone Family Department of Energy and Mineral Engineering and EMS Energy Institute, The Pennsylvania State University, 114A Hosler Building, University Park, PA 16802, United States;1. Institute of Advanced Materials & Technology, University of Science and Technology Beijing, Beijing 100083, China;2. Institute of Applied Chemistry, Xinjiang University, Urumqi 830046, China;3. Department of Mechanical Engineering, University of South Florida, Tampa FL 33620, USA;1. Jiangsu Key Laboratory for Chemistry of Low-Dimensional Materials, Jiangsu Key Laboratory for Biomass-based Energy and Enzyme Technology, School of Chemistry and Chemical Engineering, Huaiyin Normal University, Huai’an 223300, Jiangsu Province, PR China;2. School of Physical Science and Technology, Suzhou University, Suzhou 215006, PR China;3. UCB 215, Department of Chemistry and Biochemistry, University of Colorado, Boulder, CO 80309, United States
Abstract:The Pearson IV function was used to fit the asymmetric solid-state 27Al NMR spectra of alumina based catalysts. A high convergence (correlation coefficient is no less than 0.997) between experimental and simulated spectra was achieved. The decomposition of the 27Al NMR spectra of zinc/aluminum mixed oxides with different Zn/Al molar ratio revealed an increased fraction (6–9%) of pentacoordinated aluminum atoms in these oxides as compared to γ-Al2O3. As the Zn/Al ratio is raised, the fraction of [AlO6] octahedral units decreases, while the fraction of [AlO4] tetrahedra increases.
Keywords:Quadrupolar NMR  Spectra fitting  Pearson IV function  Alumina  Zinc/aluminum oxides
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