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 50 条

[21] EXCESS GIBBS FREE-ENERGIES OF DIETHYL-ETHER + HEXAFLUOROBENZENE AND DI-ISOPROPYL ETHER + HEXAFLUOROBENZENE AT 298.131-K
MURRAY, RS
MARTIN, ML
JOURNAL OF CHEMICAL THERMODYNAMICS, 1978, 10 (07): : 613 - 617
[22] UNIMOLECULAR DECOMPOSITIONS OF IONIZED ISOPROPYL METHYL-ETHER - AN AB-INITIO AND RRKM STUDY
OLIVELLA, S
SOLE, A
MCADOO, DJ
GRIFFIN, LL
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (09) : 2557 - 2564
[23] Theoretical study of cation/ether complexes: The alkali metals and dimethyl ether
Hill, SE
Glendening, ED
Feller, D
JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (34): : 6125 - 6131
[24] COMPARATIVE TOXICITY OF ISOFLURANE, HALOTHANE, FLUROXENE AND DIETHYL-ETHER IN HUMAN VOLUNTEERS
STEVENS, WC
EGER, EI
JOAS, TA
CROMWELL, TH
WHITE, A
DOLAN, WM
CANADIAN ANAESTHETISTS SOCIETY JOURNAL, 1973, 20 (03) : 357 - 368
[25] KINETIC STUDY OF STABILITIES OF CHLOROMETHYL METHYL-ETHER AND BIS(CHLOROMETHYL) ETHER IN HUMID AIR
TOU, JC
KALLOS, GJ
ANALYTICAL CHEMISTRY, 1974, 46 (12) : 1866 - 1869
[26] VAPOR-PRESSURES OF METHYL TERT-BUTYL ETHER, ETHYL TERT-BUTYL ETHER, ISOPROPYL TERT-BUTYL ETHER, TERT-AMYL METHYL-ETHER, AND TERT-AMYL ETHYL ETHER
KRAHENBUHL, MA
GMEHLING, J
JOURNAL OF CHEMICAL AND ENGINEERING DATA, 1994, 39 (04): : 759 - 762
[27] STRUCTURE-ACTIVITY RELATIONSHIPS OF ETHER ANESTHETICS - ELECTROENCEPHALOGRAPHIC STUDY OF DIETHYL-ETHER, FLUROXENE ISOFLURANE, AND ENFLURANE
STOCKARD, J
BICKFORD, R
SMITH, T
SAIDMAN, L
FRANCE, J
ELECTROENCEPHALOGRAPHY AND CLINICAL NEUROPHYSIOLOGY, 1973, 34 (07): : 713 - 713
[28] SUBSTITUTION OF METHYL TERT BUTYL ETHER FOR DIETHYL-ETHER IN THE STANDARDIZED THIN-LAYER CHROMATOGRAPHIC METHOD FOR LICHEN PRODUCTS
CULBERSON, CF
JOHNSON, A
JOURNAL OF CHROMATOGRAPHY, 1982, 238 (02): : 483 - 487
[29] BORON TRIHALIDE MEDIATED CLEAVAGE OF DIETHYL-ETHER WITH [TRIS(TRIMETHYLSILYL)METHYL]LITHIUM
SMITH, CL
ORGANOMETALLICS, 1995, 14 (06) : 3098 - 3100
[30] Theoretical study of hydrogen abstraction from dimethyl ether and methyl tert-butyl ether by hydroxyl radical
Atadinç, F
Selçuki, C
Sari, L
Aviyente, V
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2002, 4 (10) : 1797 - 1806

← 1 2 3 4 5 →