QUANTUM-CHEMICAL CALCULATIONS OF C-13 CHEMICAL-SHIFTS OF THE ALKOXIDE FORM IN ZEOLITES

被引:33
作者
MALKIN, VG
CHESNOKOV, VV
PAUKSHTIS, EA
ZHIDOMIROV, GM
机构
[1] Institute of Catalysis, Siberian Branch of the USSR Academy of Sciences, Prospekt Akademika Lavrentieva 5, Novosibirsk
关键词
D O I
10.1021/ja00158a026
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Quantum-Chemical calculations of 13C NMR chemical shifts and a mass spectrometry investigation of products of the reaction of propene on zeolite HY are presented. Saturated hydrocarbons, surface alkoxides, alkanes, cycloalkanes, aromatic compounds, and carbocations in the form of protonated aromatics have been identified. No isopropyl cation in zeolite HY has been detected. © 1990, American Chemical Society. All rights reserved.
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页码:666 / 669
页数:4
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