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Characterization of the SiOT Angle and Cation Effects on 29 Si Chemical Shifts Of Zeolites
Author(s) -
Su MingDer,
Chao KueiJung,
Chu SanYan,
Chen CheuPyeng
Publication year - 1990
Publication title -
journal of the chinese chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 45
eISSN - 2192-6549
pISSN - 0009-4536
DOI - 10.1002/jccs.199000037
Subject(s) - chemistry , cluster (spacecraft) , alkali metal , characterization (materials science) , chemical shift , population , computational chemistry , charge density , charge (physics) , crystallography , chemical physics , nanotechnology , organic chemistry , materials science , demography , physics , quantum mechanics , sociology , computer science , programming language
The quantitative relationships between 29 Si 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.