THE INTERACTION OF METHANOL WITH BRONSTED ACID SITES IN ZSM-5

被引：19

作者：

GALE, JD ^{[1
]}

CATLOW, CRA ^{[1
]}

CHEETHAM, AK ^{[1
]}

机构：

[1] UCL ROYAL INST GREAT BRITAIN, LONDON W1X 4BS, ENGLAND

来源：

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS | 1991年 / 03期

关键词：

D O I：

10.1039/c39910000178

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Semi-empirical cluster calculations (CNDO/BW) of the interaction between methanol and a Bronsted acid site in the zeolite ZSM-5 reveal hydrogen bond formation and a concomitant activation of the electrophilic nature of the methyl group, in contrast to an earlier ab initio treatment which suggested an elongation of a C-H bond.

引用

页码：178 / 179

页数：2

共 9 条

[1] SCF-MO-CNDO STUDY OF EQUILIBRIUM GEOMETRIES, FORCE CONSTANTS, AND BONDING ENERGIES - CNDO/BW .1. PARAMETERIZATION [J].

BOYD, RJ ;

WHITEHEA.MA .

JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1972, (01) :73-&

[2] HYDROCARBONS FROM METHANOL [J].

CHANG, CD .

CATALYSIS REVIEWS-SCIENCE AND ENGINEERING, 1983, 25 (01) :1-118

[3]

GRICUSKOFKE TJ, 1988, J CATAL, V114, P34

[4] APPLICATION OF SEMIEMPIRICAL MOLECULAR-ORBITAL METHODS TO CALCULATION OF PROPERTIES OF IONIC-CRYSTALS [J].

HAYNS, MR ;

DISSADO, L .

THEORETICA CHIMICA ACTA, 1975, 37 (02) :147-158

[5]

KOKOTAILO GT, 1980, PROPERTIES APPLICATI, P133

[6]

MEISEL SL, 1976, CHEMTECH, V6, P86

[7] ADSORPTION COMPLEXES OF METHANOL ON ZEOLITE ZSM-5 [J].

MIRTH, G ;

LERCHER, JA ;

ANDERSON, MW ;

KLINOWSKI, J .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1990, 86 (17) :3039-3044

[8]

SAUER J, IN PRESS THEORY MODE

[9] STRUCTURE AND DISSOCIATION MECHANISMS OF METHANOL IN ZSM-5 ZEOLITE [J].

VETRIVEL, R ;

CATLOW, CRA ;

COLBOURN, EA .

JOURNAL OF PHYSICAL CHEMISTRY, 1989, 93 (11) :4594-4598

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