Characterization of the SiOT Angle and Cation Effects on 29Si Chemical Shifts Of Zeolites |
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Authors: | Ming-Der Su Kuei-Jung Chao San-Yan Chu Cheu-Pyeng Chen |
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Abstract: | ![]() The quantitative relationships between 29Si chemical shifts and (a) the SiOT (T = Al or Si) angles and (b) the nature of the cations of the alkali forms of zeolites can be account for by the changes of charge density and p electron population of the Si atoms as calculated by the extended Hückel method on cluster models. |
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Keywords: | 29Si nmr quantum calculation |
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