SORPTION STATES OF ISOELECTRONIC LINEAR-MOLECULES IN ZEOLITES

被引：27

作者：

BOSE, H

FORSTER, H

机构：

[1] Institute of Physical Chemistry, University of Hamburg, D-2000 Hamburg 13

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1990年 / 218卷

关键词：

D O I：

10.1016/0022-2860(90)80299-Y

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：

Sorption states of di- and triatomics in zeolites A containing mono- and divalent ions were investigated, applying an electrostatic interaction model, and compared with experimental data, i.e. heats of sorption, IR band shifts, intensities and interatomic distances obtained from X-ray diffraction. In all cases zeolite cations have to be considered as centers of interaction, the isoelectronic pair CO and N2 being attached with two possible orientations of CO. Due to their size the isoelectroNic triatomics CO2 and N2O interact with two cations simultaneously. The calculated heats of adsorption turned out to be in good agreement with the experiment. Theoretical frequency shifts of CO and N2 support the assignment of bands. The calculated electric field strength at the sorption site corresponds satisfactorily with values derived from the induced IR intensities of nitrogen. It is concluded that isoelectronic molecules reveal strong similarities in their sorptional behaviour. © 1990.

引用

页码：393 / 398

页数：6

共 10 条

[1] DETERMINATION OF THE ELECTRIC-FIELD IN ZEOLITES NAA, NACAA AND CA6A - CALCULATION FROM THE IONIC CHARGE-DISTRIBUTION AND INFRARED MEASUREMENTS OF THE INDUCED BAND OF N-2 [J].