INTERACTION OF CO2 WITH MAGNESIUM-OXIDE SURFACES - A TPD, FTIR, AND CLUSTER-MODEL CALCULATION STUDY

被引:66
作者
YANAGISAWA, Y
TAKAOKA, K
YAMABE, S
ITO, T
机构
[1] NARA UNIV EDUC,DEPT CHEM,NARA 630,JAPAN
[2] OTSUMA WOMENS UNIV,SCH SOCIAL INFORMAT STUDIES,DEPT ENVIRONM SCI,TOKYO 206,JAPAN
关键词
D O I
10.1021/j100011a043
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
An FTIR spectroscopic study of the adsorption of natural and O-18-enriched CO2 gases on MgO powders was performed and was compared with temperature-programmed desorption analysis. Two types of CO3 species (a and b) were found after (CO2)-O-16 adsorption at room temperature: they have characteristic wavenumbers 1659, 1329, and 1024 cm(-1) (type a) and 1626, 1273, and 947 cm(-1) (type b), respectively. Ab initio molecular orbital calculations gave theoretical wave numbers. According to comparison of these numbers, type b is a monodentate model. Type a could not be reproduced in the present limited cluster model. It is inferred that it also comes from a monodentate model with partly bidentate and ''tridentate'' characters.
引用
收藏
页码:3704 / 3710
页数:7
相关论文
empty
未找到相关数据