Combined theoretical and experimental study of the site-specificity of vibrational dynamics of CO adsorbed on monovalent metal cations in zeolites.

被引：0
|
作者：
Bludsky, O
Nachtigallová, D
Bulánek, R
Nachtigall, P
机构：
[1] Acad Sci Czech Republ, Inst Organ Chem & Biochem, Ctr Complex Mol Syst, CR-16610 Prague 6, Czech Republic
[2] Univ Pardubice, Dept Phys Chem, Pardubice 53010, Czech Republic
来源：
MOLECULAR SIEVES: FROM BASIC RESEARCH TO INDUSTRIAL APPLICATIONS, PTS A AND B | 2005年 / 158卷
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D O I：
暂无
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：
The question of site-spec if, city of IR spectra of adsorbed CO molecule on metal ion exchanged zeolites was addressed. The vibrational dynamics of CO adsorbed oil Cu+, Li+, and Na+ sites in FER was investigated by the combination of experimental and theoretical methods allowing the Calculations of CO frequencies with "near spectroscopic accuracy". The details of experimental spectra in the CO stretching region are assigned based oil the calculations. The effects contributing to the overall CO stretching are discussed. The general rules for site-specificity of vibrational dynamics of adsorbed probe molecules are suggested.
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页码：625 / 632
页数：8
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