QUANTUM-MECHANICAL APPROACH TO UNDERSTANDING ACID-BASE INTERACTIONS AT METAL POLYMER INTERFACES

被引:8
作者
CAIN, SR
机构
[1] IBM Systems Technology Division, Endicott, NY 13760
关键词
interfacial chemistry; metal-polymer interfaces; acid-base chemistry; Quantum chemistry; surface chemistry;
D O I
10.1163/156856190X00333
中图分类号
TQ [化学工业];
学科分类号
0817 ;
摘要
Molecular orbital theory is presented as a means to understanding metal-polymer interfacial chemistry. While the systems used in molecular orbital studies tend to be rather idealized, much insight may be gained from such studies. Three different investigations are cited as examples of the applicability of molecular orbital theory in describing how functional groups of an adsórbate bond to a metal surface as well as how quantum-mechanical calculations may be used to interpret experimental data, e.g. photoelectron spectra. Experimental techniques (nucleophilic displacement, isoelectric points, flow microcalorimetry, and temperature-programmed desorption) for determining acid-base interactions are also discussed briefly. © 1990, VSP. All rights reserved.
引用
收藏
页码:333 / 351
页数:19
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