Modeling of benzene adsorption in metal-exchanged zeolites by calculation of 7Li chemical shifts

被引：0

作者：

Barich, DH ^{[1
]}

Xu, T ^{[1
]}

Zhang, JH ^{[1
]}

Haw, JF ^{[1
]}

机构：

[1] Texas A&M Univ, Dept Chem, College Stn, TX 77842 USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 1998年 / 37卷 / 18期

关键词：

ab initio calculations; alkali metals; NMR spectroscopy; pi interactions; zeolites;

D O I：

10.1002/(SICI)1521-3773(19981002)37:18<2530::AID-ANIE2530>3.0.CO;2-2

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A 1:1 complex between Li+ and benzene is formed when benzene is adsorbed into a Li-exchanged zeolite. This was the result of calculations of the 7Li chemical shifts for several model complexes, including Li+ · 2H2O · C6H6 (depicted). After 13C and 2H, 7Li is a further nucleus that can be studied to determine the structure and dynamics of complexes formed between organic species and metal cations in zeolites.

引用

页码：2530 / 2531

页数：2

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