Kinetics of the aEuro¢OH-radical initiated reactions of acetic acid and its deuterated isomers

被引：8

作者：

Szabo, Emese ^{[1
,2
,3
,4
]}

Tarmoul, Jeremy ^{[1
,2
,4
]}

Tomas, Alexandre ^{[1
,2
]}

Fittschen, Christa ^{[1
]}

Dobe, Sandor ^{[3
]}

Coddeville, Patrice ^{[1
,2
]}

机构：

[1] Univ Lille Nord France, F-59508 Douai, France

[2] Ecole Mines Douai, Dept Chim Environm, F-59508 Douai, France

[3] Hungarian Acad Sci, Chem Res Ctr, H-1525 Budapest, Hungary

[4] Univ Sci & Technol Lille, CNRS, Lab Physicochim Proc Combust & Atmosphere, UMR 8522, F-59655 Villeneuve Dascq, France

来源：

REACTION KINETICS AND CATALYSIS LETTERS | 2009年 / 96卷 / 02期

关键词：

Acetic acid; KIE; OH kinetics; glyoxylic acid; GAS-PHASE REACTIONS; OH RADICAL REACTIONS; HYDROXYL RADICALS; ATMOSPHERIC OXIDATION; TEMPERATURE-RANGE; MECHANISM; RATES;

D O I：

10.1007/s11144-009-5511-y

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：

Kinetics of the (OH)-O-aEuro cent-initiated reactions of acetic acid and its deuterated isomers have been investigated performing simulation chamber experiments at T = 300 +/- 2 K. The following rate constant values have been obtained (+/- 1 sigma, in cm(3) molecule(-1) s(-1)): k (1)(CH3C(O)OH + (OH)-O-aEuro cent) = (6.3 +/- 0.9) x 10(-13), k (2)(CH3C(O)OD + (OH)-O-aEuro cent) = (1.5 +/- 0.3) x 10(-13), k (3)(CD3C(O)OH + (OH)-O-aEuro cent) = (6.3 +/- 0.9) x 10(-13), and k (4)(CD3C(O)OD + (OH)-O-aEuro cent) = (0.90 +/- 0.1) x 10(-13). This study presents the first data on k (2)(CH3C(O)OD + (OH)-O-aEuro cent). Glyoxylic acid has been detected among the products confirming the fate of the (CH2C)-C-aEuro cent(O)OH radical as suggested by recent theoretical studies.

引用

页码：299 / 309

页数：11

共 26 条

[1]

[Anonymous], J GEOPHYS RES

[2] Evaluated kinetic and photochemical data for atmospheric chemistry: Volume II - gas phase reactions of organic species [J].

Atkinson, R. ;

Baulch, D. L. ;

Cox, R. A. ;

Crowley, J. N. ;

Hampson, R. F. ;

Hynes, R. G. ;

Jenkin, M. E. ;

Rossi, M. J. ;

Troe, J. .

ATMOSPHERIC CHEMISTRY AND PHYSICS, 2006, 6 :3625-4055

[3] Rate constant and mechanism of the reaction of OH radicals with acetic acid in the temperature range of 229-300 K [J].

Butkovskaya, NI ;

Kukui, A ;

Pouvesle, N ;

Le Bras, G .

JOURNAL OF PHYSICAL CHEMISTRY A, 2004, 108 (34) :7021-7026

[4] Kinetic parameters for gas-phase reactions: Experimental and theoretical challenges [J].

Carl, S. A. ;

Vereecken, L. ;

Peeters, J. .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2007, 9 (31) :4071-4084

[5] Atmospheric oxidation mechanism of methyl propionate [J].

Cavalli, F ;

Barnes, I ;

Becker, KH ;

Wallington, TJ .

JOURNAL OF PHYSICAL CHEMISTRY A, 2000, 104 (48) :11310-11317

[6] IDEAL-GAS THERMODYNAMIC PROPERTIES OF METHANOIC AND ETHANOIC ACIDS [J].

CHAO, J ;

ZWOLINSKI, BJ .

JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, 1978, 7 (01) :363-377

[7]

Chase M. W., 1998, J PHYS CHEM REF DATA, V9, P1, DOI 10.18434/T42S31

[8]

Crunaire S, 2006, APPL PHYS B-LASERS O, V85, P467, DOI 10.1007/800340-006-2319-6

[9] THE GAS-PHASE REACTIONS OF HYDROXYL RADICALS WITH A SERIES OF CARBOXYLIC-ACIDS OVER THE TEMPERATURE-RANGE 240-440-K [J].

DAGAUT, P ;

WALLINGTON, TJ ;

LIU, RZ ;

KURYLO, MJ .

INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 1988, 20 (04) :331-338

[10] Theoretical and experimental study of the product branching in the reaction of acetic acid with OH radicals [J].

De Smedt, F ;

Bui, XV ;

Nguyen, TL ;

Peeters, J ;

Vereecken, L .

JOURNAL OF PHYSICAL CHEMISTRY A, 2005, 109 (10) :2401-2409

← 1 2 3 →