Quantum-chemical study of hydride transfer in catalytic transformations of paraffins on zeolites

被引：0
|
作者：
Kazansky, VB [1 ]
Frash, MV [1 ]
vanSanten, RA [1 ]
机构：
[1] EINDHOVEN UNIV TECHNOL, NL-5600 MB EINDHOVEN, NETHERLANDS
来源：
PROGRESS IN ZEOLITE AND MICROPOROUS MATERIALS, PTS A-C | 1997年 / 105卷
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D O I：
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中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Ab initio quantum-chemical cluster calculations demonstrate that the activated complexes of hydride transfer reaction in catalytic transformations of paraffins on zeolites very much resembles adsorbed nonclassical carbonium ions. The calculated activation energies for reactions involving propane and isobutane are in reasonable agreement with experimental data.
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页码：2283 / 2290
页数：8
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