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.

引用

页码：607 / 617

页数：11

共 27 条

[1]

AUE DH, 1979, GAS PHASE ION CHEM, V2, P1

[2] ION CYCLOTRON RESONANCE SPECTROSCOPY [J].

BEAUCHAM.JL .

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1971, 22 :527-&

[3]

BUREAU C, IN PRESS J MOL CATAL

[4] EQUILIBRIUM STRUCTURES, PROTON AFFINITIES, AND IONIZATION-POTENTIALS OF THE FLUOROACETONES [J].

CHOI, SC ;

BOYD, RJ .

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1985, 63 (04) :836-842

[5] A STUDY OF THE TRIBOLOGICAL BEHAVIOR OF PERFLUOROPOLYETHERS [J].

COSMACINI, E ;

VERONESI, V .

WEAR, 1986, 108 (03) :269-283

[6] METHYL CATION AFFINITIES OF N, O, AND C LONE-PAIR DONORS [J].

DEAKYNE, CA ;

MEOTNER, M .

JOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (01) :232-239

[7]

DEKOCK RL, 1983, J MOL STRUC-THEOCHEM, V11, P343, DOI 10.1016/0166-1280(83)80142-0

[8] FRICTION STUDIES IN ULTRAHIGH-VACUUM OF FE SURFACES WITH THIN-FILMS FROM EXPOSURE TO PERFLUORODIETHYLETHER [J].

DEKOVEN, BM ;

MEYERS, GF .

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A-VACUUM SURFACES AND FILMS, 1991, 9 (04) :2570-2577

[9] PRELIMINARY THEORETICAL-STUDY OF PERFLUORODIMETHYL ETHER AND ITS PROTONATED FORM [J].

FONTAINE, M ;

DELHALLE, J ;

DEFRANCESCHI, M ;

LECAYON, G ;

BOISSEL, J .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1993, 46 (01) :171-181

[10] EXTENSIVE THEORETICAL-STUDIES OF THE HYDROGEN-BONDED COMPLEXES (H2O)2, (H2O)2H+, (HF)2, (HF)2H+, F2H-, AND (NH3)2 [J].

FRISCH, MJ ;

DELBENE, JE ;

BINKLEY, JS ;

SCHAEFER, HF .

JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (04) :2279-2289

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