AN ABINITIO MOLECULAR-ORBITAL STUDY OF SILANOL HYDROGEN COMPLEXES - A MODEL FOR THE INTERACTION OF HYDROGEN WITH SILICATE HYDROXYL-GROUPS

被引：7

作者：

DEALMEIDA, WB ^{[1
]}

OMALLEY, PJ ^{[1
]}

机构：

[1] UNIV MANCHESTER,INST SCI & TECHNOL,DEPT CHEM,MANCHESTER M60 1QD,LANCS,ENGLAND

来源：

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS | 1991年 / 07期

关键词：

D O I：

10.1039/c39910000455

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The geometry of the weak van der Waals complex formed between H2 and silanol is determined by high level ab initio molecular orbital methods and is shown to provide a good model for H2 adsorption complexes on silicates and zeolites.

引用

页码：455 / 456

页数：2

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