A COMPARATIVE THEORETICAL-STUDY OF DIMETHYL ETHER, DIETHYL-ETHER, ISOPROPYL METHYL-ETHER AND THEIR PERFLUORINATED ANALOGS

被引：9
|
作者：
FONTAINE, M
DELHALLE, J
DEFRANCESCHI, M
BOURIN, JMM
机构：
[1] FAC UNIV NOTRE DAME PAIX, CHIM THEOR APPL LAB, 61 RUE BRUXELLES, B-5000 NAMUR, BELGIUM
[2] CEA, CTR SACLAY, DSM, DRECAM, SRSIM, F-91191 GIF SUR YVETTE, FRANCE
[3] FRAMATOME CONNECTORS FRANCE, F-78035 VERSAILLES, FRANCE
来源：
JOURNAL OF MOLECULAR STRUCTURE | 1993年 / 300卷
关键词：
D O I：
10.1016/0022-2860(93)87050-J
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：
Changes induced by oxygen protonation in the ether link of dimethyl, diethyl and isopropyl methyl ethers and their perfluorinated analogues are studied by comparing the geometrical structure, vibrational characteristics and proton affinities calculated at the RHF level with the 3-21G and 6-31G* bases. This contribution is part of more general research on the effects of surface sites, Lewis acid sites in particular, assumed to play a role in the degradation of lubricants during use.
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页码：607 / 617
页数：11
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