Kinetics and mechanism of the gas phase reaction of Cl atoms and OH radicals with bromobenzene

Article abstract of DOI:10.1016/S0009-2614(01)01499-3

Relative rate techniques were used to study the kinetics and mechanism of the reaction of Cl atoms and OH radicals with bromobenzene (C₆H₅Br) in 20-700 Torr of N₂, O₂, or air diluent at 295 ± 2 K. Using the observed rate constant ratios k(C₆H₅Br+Cl) /k(C₂H₅Cl+Cl) = 1.56 ± 0.05 and k(C₆H₅Br+Cl)/k(C₂H₆+Cl) = 0.24 ± 0.01, the C₆H₅Br+Cl rate constant is determined to be k(C₆H₅Br+Cl) = (1.32 ± 0.20) × 10^-11 cm³ molecule^-1 S^-1 giving exclusively C₆H₅Cl through a displacement mechanism. Using the observed rate constant ratios k(C₆H₅Br+OH)/ k(C₆H₆ + OH) = 0.77 ± 0.06 and k(C₆H₅Br+OH)/k(C₂H₄+OH) = 0.11 ± 0.004, the C₆H₅Br + OH rate constant is determined to be k(C₆H₅Br+OH) = (9.37±2.04) × 10^-13 cm³ molecule^-1 s^-1. The product expected from a displacement mechanism, phenol, was not observed (<10% yield).

Full text of DOI:10.1016/S0009-2614(01)01499-3

13 February 2002
Chemical Physics Letters 353 (2002) 77–83
www.elsevier.com/locate/cplett
Kinetics and mechanism of the gas phase reaction of Cl
atoms and OH radicals with bromobenzene
a
Y. Nakano , M. Kawasaki , D.A. Ponomarev , M.D. Hurley
a
b
c,
*
,
c
T.J. Wallington
a
Department of Molecular Engineering, Kyoto University, Kyoto 606-8501, Japan
b
St.Petersburg Forest Technical Academy, 194021 St.Petersburg, Russia
Ford Research Laboratory, SRL-3083, Ford Motor Company, P.O. Box 2053, Dearborn, MI 48121-2053, USA
c
Received 7 November 2001; in final form 4 December 2001
Abstract
Relative rate techniques were used to study the kinetics and mechanism of the reaction of Cl atoms and OH radicals
with bromobenzene (C6H5Br) in 20–700 Torr of N2, O2, or air diluent at 295 ꢀ 2 K. Using the observed rate constant
ratios kðC6H5Br þ ClÞ=kðC2H5Cl þ ClÞ ¼ 1:56 ꢀ 0:05 and kðC6H5Br þ ClÞ=kðC2H6 þ ClÞ ¼ 0:24 ꢀ 0:01, the
C6H5Br þ Cl rate constant is determined to be kðC6H5Br þ ClÞ ¼ ð1:32 ꢀ 0:20Þ Â 10À11 cm3 moleculeÀ1 sÀ1 giving
exclusively C6H5Cl through a displacement mechanism. Using the observed rate constant ratios kðC6H5Br þ OHÞ=
kðC6H6 þ OHÞ ¼ 0:77 ꢀ 0:06 and kðC6H5Br þ OHÞ=kðC2H4 þ OHÞ ¼ 0:11 ꢀ 0:004, the C6H5Br þ OH rate constant is
determined to be kðC6H5Br þ OHÞ ¼ ð9:37 ꢀ 2:04Þ Â 10À13 cm3 moleculeÀ1
s
À1. The product expected from a
displacement mechanism, phenol, was not observed (< 10% yield). Ó 2002 Elsevier Science B.V. All rights
reserved.
1. Introduction
is the dominant loss of aromatic compounds. In
laboratory studies of the atmospheric chemistry of
aromatic compounds Cl atoms are often used as a
surrogate for OH radicals. Cl atoms are also often
used in flash photolysis studies to study the spec-
troscopy and kinetics of radical intermediates.
Kinetic and mechanistic data concerning the re-
action of OH radicals and Cl atoms with aromatic
compounds are needed to increase our under-
standing of this important class of compounds. We
report here kinetic and mechanistic data on the
reaction of OH radicals and Cl atoms with
bromobenzene in 20–700 Torr of N2, air, or O2
diluent at 295 ꢀ 2 K.
Aromatic compounds represent a significant
fraction of organic compounds in the urban at-
mosphere. Unfortunately, there are significant
uncertainties in our current understanding of the
atmospheric degradation of aromatic compounds
[1,2] and it is difficult to represent this class of
compounds in atmospheric chemistry models. In
the lower troposphere, reaction with OH radicals
* Corresponding author. Fax: +1-313-594-2923.
E-mail address: mhurley3@ford.com (M.D. Hurley).
0009-2614/02/$ - see front matter Ó 2002 Elsevier Science B.V. All rights reserved.
PII: S0009-2614(01)01499-3

78
Y.Nakano et al./ Chemical Physics Letters 353 (2002) 77–83
2. Experimental
3. Results and discussion
Experiments were performed in a 140 liter
evacuable Pyrex reactor interfaced to a Sirus 100
FTIR spectrometer [3]. The reactor was sur-
rounded by 22 fluorescent blacklamps (GE
F40BLB) which were used to photochemically
initiate the experiments. Chlorine atoms were
generated by the photolysis of molecular chlorine:
The kinetics of the reaction of OH and Cl with
bromobenzene were investigated using the relative
rate technique, which is described in detail else-
where [4–6]. This technique is based on a compe-
tition between the reaction of interest and a
reference reaction. By monitoring the concentra-
tion of the two compounds, a rate constant ratio
can be determined. If the reaction rate for the
reference reaction is known, the rate constant of
the reaction of interest can be determined. Refer-
ence reactions are chosen that have reaction rates
comparable to the reaction of interest. The relative
rate method relies on the assumption that the
radical of interest is the sole loss mechanism of the
reactant and reference compounds. Control ex-
periments were performed to check for loss of
bromobenzene and the reference compounds via
photolysis and/or heterogeneous loss in the
chamber; no loss (< 2%) of either bromobenzene
or the reference compounds was observed. In rel-
ative rate experiments, radicals formed in second-
ary reactions can consume the reactant and/or
reference compounds. If such reactions with sec-
ondary radicals are important, the relative rate
plots are often curved. Also, since different refer-
ence compounds and different diluent gases pro-
duce different secondary radicals, the rate constant
derived from experiments using different experi-
mental conditions would not agree if secondary
chemistry was a complicating factor. The fact that
relative rate plots are linear and give rate constants
which are in agreement suggests that the results
presented here are free of contributions from sec-
ondary radicals.
Cl2 þ hm ! 2Cl
OH radicals were generated by the UV irradiation
of CH3ONO=NO=air mixtures:
CH3ONO þ hm ! CH3O þ NO
CH3O þ O2 ! CH2O þ HO2
HO2 þ NO ! OH þ NO2
Reactant mixtures were prepared using cali-
brated volumes on an external gas handling mani-
fold and flushed into the chamber using N2, O2, or
air diluent gas. Reactant and reference compounds
were monitored in situ by FTIR spectroscopy using
absorbance spectra derived from 32 co-added in-
terferograms, a spectral resolution of 0:25 cmÀ1
and an analyzing path length of 27 m. The IR fea-
tures used for analysis were: C6H5Br ð736 cmÀ1Þ,
C6H5Cl ð741 cmÀ1Þ, C2H6 ð822 cmÀ1Þ, C2H4
ð949 cmÀ1Þ, C2H5Cl ð677; 1288 cmÀ1Þ, C6H6 ð674
cmÀ1Þ and C6H5OH ð752 cmÀ1Þ. Experiments
were performed in 20–700 Torr of N2, O2, or air
diluent at 295 ꢀ 2 K. All reactants were obtained
from commercial sources at purities > 99%. The
samples of C6H5Br; C6H5Cl and C6H6 were sub-
jected to repeated freeze-pump-thaw cycles before
use. Ultrahigh purity nitrogen and air diluent gases
were used as received. In smog chamber experi-
ments unwanted loss of reactants and products via
photolysis and heterogeneous reactions have to be
considered. Control experiments were performed in
which product mixtures obtained after UV irradi-
ation of C6H5Br=Cl2=air or C6H5Br=CH3ONO=
NO=air mixtures were allowed to stand in the dark
in the chamber for 15 min. There was no observable
(< 2%) loss of reactants or products, showing that
heterogeneous reactions are not a significant com-
plication over the timescale of the present experi-
ments.
3.1. Relative rate study of the C6H5Br þ Cl reaction
in 20 and 700 Torr of N2 or O2
The kinetics of reaction (1) were measured rel-
ative to reactions (2) and (3):
C6H5Br þ Cl ! products
C2H5Cl þ Cl ! products
ð1Þ
ð2Þ
C2H6 þ Cl ! products
ð3Þ

Y.Nakano et al./ Chemical Physics Letters 353 (2002) 77–83
79
3.2. Relative rate study of the C6H5Br þ OH
Initial reactant concentrations were 10 mTorr
of C6H5Br, 100 mTorr of Cl2, and 22–25 mTorr of
one of the two references in 20 or 700 Torr of ei-
ther N2 or O2 diluent. The observed loss of
C6H5Br versus that of the reference compounds in
the presence of Cl radicals is shown in Fig. 1. As
seen from Fig. 1, there was no observable effect of
total pressure (20–700 Torr) or diluent gas (N2 or
O2) on the kinetics of reaction (1). Linear least-
squares analysis of the data in Fig. 1 gives k1=k2 ¼
1:56 ꢀ 0:05 and k1=k3 ¼ 0:24 ꢀ 0:01, where the
quoted uncertainties are two standard deviations
from the linear regressions. Using k2 ¼ ð8:04 ꢀ
0:57Þ Â 10À12 [7] and k3 ¼ ð5:75 ꢀ 0:45ÞÂ 10À11
cm3 moleculeÀ1 sÀ1 [8] we derive k1 ¼ ð1:25 ꢀ
0:10Þ Â 10À11 and ð1:39 ꢀ 0:12Þ Â 10À11 cm3
reaction in 700 Torr of air
The kinetics of reaction (4) were measured rel-
ative to reactions (5) and (6):
C6H5Br þ OH ! products
C6H6 þ OH ! products
C2H4 þ OH ! products
ð4Þ
ð5Þ
ð6Þ
Initial reactant concentrations were 10 mTorr of
C6H5Br, 100 mTorr of CH3ONO, and either 1.5
mTorr of C6H6 or 15–21 mTorr of C2H4 in 700
Torr of air diluent. In all cases 8–16 mTorr NO was
present initially to suppress ozone formation. The
observed loss of C6H5Br versus that of the refer-
ence compounds in the presence of OH radicals
is shown in Fig. 2. Linear least-squares analysis of
the data in Fig. 2 gives k4=k5 ¼ 0:77 ꢀ 0:06 and
k4=k6 ¼ 0:11 ꢀ 0:004, where the quoted uncertain-
ties are two standard deviations from the linear
regressions. Using k5 ¼ ð1:22 ꢀ 0:24Þ Â 10À12 [2]
and k6 ¼ ð8:49 ꢀ 0:43Þ Â 10À12 cm3 moleculeÀ1 sÀ1
[9] we derive k4 ¼ ð9:39 ꢀ 2:02Þ Â 10À13 and
moleculeÀ1 À1, where the quoted uncertainties
s
reflect uncertainties in both the rate constant ratio
and the reference rate constant. We choose to cite
a final value for k1 which is the average of those
determined using the two different reference
compounds together with error limits which
encompass the extremes of the individual
determinations, therefore, k1 ¼ ð1:32 ꢀ 0:20Þ Â
10À11 cm3 moleculeÀ1 sÀ1
.
ð9:35 ꢀ 0:58Þ Â 10À13 cm3 moleculeÀ1 sÀ1
,
where
Fig. 1. Decay of C6H5Br versus the reference compounds
C2H5Cl (diamonds) and C2H6 (circles) in the presence of Cl
atoms in 700 Torr N2 (black), 700 Torr O2 (open) or 20 Torr O2
(crosshair).
Fig. 2. Decay of C6H5Br versus the reference compounds C6H6
(circles) and C2H4 (diamonds) in the presence of OH radicals in
700 Torr air.

80
Y.Nakano et al./ Chemical Physics Letters 353 (2002) 77–83
the quoted uncertainties reflect uncertainties in
both the rate constant ratio and the reference rate
constant. Again, our final value for k4 is the aver-
age of those determined using the two reference
compounds together with error limits which en-
compass the extremes of the individual determi-
nations, therefore, k4 ¼ ð9:37 ꢀ 2:04Þ Â 10À13 cm3
C6H5Br and 25 mTorr Cl2, in 700 Torr of either N2
or O2 diluent were introduced into the reaction
chamber and irradiated using the UV blacklamps.
Consumptions of C6H5Br were in the range 6–
86%. Fig. 3 shows spectra acquired before (A) and
after (B) a 120 s irradiation of a mixture of 15
mTorr C6H5Br and 25 mTorr Cl2 in 700 Torr of
O2. The consumption of C6H5Br was 49%. Com-
parison of the IR features in panel (B) with the
reference spectrum of C6H5Cl given in panel (C)
shows the formation of this compound. The fea-
ture at 685 cmÀ1 is present in the spectra of both
C6H5Cl and C6H5Br. Fig. 4 shows the observed
formation of C6H5Cl versus the loss of C6H5Br
following UV irradiation of C6H5Br=Cl2 mixtures
in 700 Torr of either O2 or N2 diluent. As seen
from Fig. 4, there was no discernable difference
between the results obtained in O2 and N2 diluent.
moleculeÀ1 sÀ1
.
There have been two previous determinations of
k4. Witte et al. [10] used the flash photolysis reso-
nance fluorescence technique at a pressure of 100
Torr and temperatures of 245–362 K to determine
the Arrhenius expression, k4 ¼ 1:3 Â 10À12 exp
ðÀð180 ꢀ 60Þ=TÞ cm3 moleculeÀ1
s
10À13 cm3 moleculeÀ1 À1. Wallington et al. [11]
s
À1. Using this
expression, at 295 K, k4 ¼ ð7:06 ꢀ 1:6Þ Â
also used the flash photolysis resonance fluores-
cence technique to determine the absolute
rate constant k4 ¼ ð9:15 ꢀ 0:97Þ Â 10À13 cm3 mole
culeÀ1 sÀ1 at 296 K and total pressures between 25
and 50 Torr. The results of the current study are
clearly in better agreement with Wallington et al.
[11] than with Witte et al. [10]. Both studies used the
same technique under similar conditions of tem-
perature and pressure and the reason for the dis-
crepancy is not clear. Witte et al. [10] and
Wallington et al. [11] measured the rate constant for
reaction of OH with benzene and reported values of
k5 ¼ 1:21Â 10À12 [10] and 1:30 Â 10À12 [11] that are
in good agreement with the currently accepted lit-
erature value given above. A significant difference
between the two studies was the method of intro-
ducing reactants into the apparatus. Witte et al. [10]
used a gas saturation technique, while Wallington
et al. [11] measured the reactants manometrically.
The vapor pressure of bromobenzene (3.5 Torr at
295 K) is significantly less than benzene (82 Torr at
295 K) [12]. It is possible that the slightly lower
value for k4 reported by Witte et al. [10] re-
flects difficulties associated with use of the gas sat-
uration technique with low vapor pressure
compounds.
3.3. Product study C6H5Br with Cl in 700 Torr N2 or
O2
Fig. 3. IR spectra obtained before (A) and after (B) a 120 s UV
irradiation of 15 mTorr C6H5Br and 25 mTorr Cl2 in 700 Torr
O2. Panel (C) is a reference spectrum of C6H5Cl.
To investigate the products of the reaction of Cl
atoms with C6H5Br, mixtures of 14.5 mTorr

Y.Nakano et al./ Chemical Physics Letters 353 (2002) 77–83
81
kJ=mol, respectively. Reaction (7) is thermody-
namically favored over reaction (8), which is con-
sistent with the experimental result obtained in this
work.
It is of interest to compare the kinetic and
mechanistic data concerning the reaction of Cl
atoms towards bromobenzene reported herein
with the literature data for the reactivity of Cl
atoms towards benzene, chlorobenzene, and iod-
obenzene (there are no available data concerning
the reactivity towards fluorobenzene). The reac-
tion of Cl atoms with benzene and chlorobenzene
proceeds via two pathways: H-atom abstraction
and adduct formation [17]. Under atmospheric
conditions the adduct decomposes to reform the
reactants. In the reaction with benzene the H-atom
abstraction channel proceeds with a rate constant
of ð1:3 ꢀ 1:0Þ Â 10À16 while for chlorobenzeÀn1e an
upper limit of < 2:5 Â 10À16 cm3 molecule sÀ1
has been established for this channel [17]. In
marked contrast to the reaction with benzene, the
reaction of Cl atoms with iodobenzene is rapid
Fig. 4. Formation of C6H5Cl versus loss of C6H5Br in 700 Torr
of N2 (filled) or O2 (open) symbols during the UV irradiation of
C6H5Br=Cl2 mixtures.
with
a
rate
constant
of
ð3:3 ꢀ 0:7ÞÂ
The straight line in Fig. 4 is a linear least-squares
fit which gives a ð101 ꢀ 4Þ% molar yield of chlo-
robenzene in 700 Torr of either N2 or O2. Quoted
errors are two standard deviations from the re-
gression analysis. We estimate that possible sys-
tematic errors associated with uncertainties in the
calibration of the reference spectra for C6H5Br and
C6H5Cl combine to give an additional 10% un-
certainty in the C6H5Cl product yield. Within the
experimental uncertainties, the observed forma-
tion of C6H5Cl accounts for 100% of the loss of
C6H5Br.
10À11 cm3 moleculeÀ1 sÀ1 under ambient condi-
tions [18]. The reaction of Cl with C6H5I gives
C6H5Cl in a yield which is indistinguishable from
100% and is believed to proceed via the formation
of a C6H5I – Cl adduct which decomposes to give
C6H5Cl and I atoms [18]. The kinetic and mecha-
nistic data for the reactions of Cl atoms with
benzene, C6H5Cl, C6H5Br, and C6H5I form a
consistent pattern which can be used to provide
insight into the fundamental mechanism of the
reactions. The simplest mechanism which fits all
the experimental observations is that reaction of
Cl atoms with these aromatic species proceeds via
two channels: H-atom abstraction and adduct
formation. The H-atom abstraction channel is
endothermic and proceeds with aÀr1ate constant of
The thermodynamics of two possible reaction
mechanisms, (7) and (8):
C6H5Br þ Cl ! C6H5Cl þ Br
C6H5Br þ Cl ! C6H5 þ BrCl
ð7Þ
ð8Þ
the order of 10À16 cm3 molecule
s
À1. It seems
likely that adduct formation will proceed rapidly
(probably with rate constant in 10À11–10À10
cm3 moleculeÀ1 sÀ1 range). Whether or not the
adduct formation channel manifests itself in a
chemical reaction depends upon the availability of
a leaving group on the aromatic ring. For C6H5Br
and C6H5I such a leaving group is present and the
displacement reaction is observed (I is a better
can be compared. By using the heat of formation
of reactants and products; DHf ðC6H5BrÞ ¼
105:4 kJ=mol [13], DHf ðClÞ ¼ 120:9 kJ=mol [14],
DHf ðC6H5ClÞ ¼ 54:4 kJ=mol [15], DHf ðBrÞ ¼ 111
kJ=mol [14], DHf ðC6H5Þ ¼ 340 kJ=mol [16] and
DHf ðBrClÞ ¼ 15 kJ=mol [14] the reaction enthalpy
of reactions (7) and (8) are determined to be
DHreaction ð7Þ ¼ À60 kJ=mol and DHreaction ð8Þ ¼ 129

82
Y.Nakano et al./ Chemical Physics Letters 353 (2002) 77–83
leaving group than Br and hence a more rapid
reaction is observed for C6H5I than for C6H5Br).
For benzene there is no facile leaving group and
the displacement channel is not observed. For
chlorobenzene a leaving group is available (the Cl
atom initially chemically bound to the aromatic
ring). This raises the question, ‘‘Does displacement
occur in the reaction of Cl atoms with chloro-
benzene?’’ Experiments employing isotopically la-
beled Cl are needed to resolve this question
irradiated with the UV blacklamps. Irradiation
periods of 3–150 s resulted in propene consump-
tions of 1–50% from which bromobenzene con-
sumptions of 0.04–2.44% were calculated. Phenol
has an intense IR feature at 752 cmÀ1. The prod-
uct spectra were examined for evidence of a feature
at 752 cmÀ1; no such feature was found. Taking
into consideration our detection limit for phenol
and uncertainties associated with the method used
to compute the bromobenzene consumption we
arrive at an upper limit for the molar phenol yield
in reaction (4) of < 10%. It is believed that the
hydrogen abstraction pathway accounts for a
negligible fraction (< 10%) of reaction (4) [1] and
that the dominant reaction channel is addition to
the ring to form an adduct. From the present work
we conclude that in 700 Torr of air at 295 K in the
presence of 3–16 mTorr of NOx, the C6H5Br–OH
adduct does not react to give phenol in any sig-
nificant yield (< 10%).
3.4. Product study of C6H5Br with OH in 700 Torr
air
OH radicals can react with bromobenzene by
concerted displacement of the bromine atom, ab-
straction of a hydrogen atom, or addition to the
aromatic ring to form an adduct. If OH reacts with
bromobenzene by either direct displacement of the
bromine atom, or via the formation of an adduct
which eliminates a Br atom, the expected product
is phenol. Experiments were performed to quantify
phenol formation following the reaction of OH
4. Conclusions
with bromobenzene. Bromobenzene has
relatively low reactivity towards OH radicals;
a
This study shows that the reaction of Cl atoms
with C6H5Br occurs with a rate constant of
k1 ¼ ð1:32 ꢀ 0:20Þ Â 10À11 cm3 moleculeÀ1 sÀ1 at
295 ꢀ 2 K in 20–700 Torr of O2 or N2. The reac-
tion has been shown to proceed via a displacement
mechanism (probably addition followed by elimi-
nation) to give exclusively C6H5Cl.
kðC6H5B r þ O HÞ ¼ ð9:3 7 ꢀ 2:0 4Þ Â 1 0À1 3 c m3
moleculeÀ1 À1. In contrast phenol reacts rapidly
s
with OH radicals; kðC6H5OH þ OHÞ ¼ ð2:81ꢀ
0:58ÞÂ 10À11 cm3 moleculeÀ1 sÀ1 [19]. To avoid
significant loss of phenol via secondary reaction
with OH radicals it was necessary to conduct ex-
periments in which only a small fraction (typically
< 2%) of the bromobenzene was consumed. It is
difficult to measure such small consumptions di-
rectly. To monitor such small consumptions ac-
curately a small amount (6 mTorr) of propene was
added into the chamber. Propene is very reactive
towards OH radicals (k ¼ 2:63 Â 10À11 cm3
moleculeÀ1 sÀ1 [20]) and can be monitored conve-
niently using its intense IR absorption at
913 cmÀ1. The loss of propene can be monitored
with high precision and can be coupled with the
fact that OH radicals react 28 times more rapidly
with propene than with bromobenzene to provide
an indirect determination of the consumption of
bromobenzene. Mixtures of 10–270 mTorr
C6H5Br, 6 mTorr propene, 100 mTorr CH3ONO
and 3–16 mTorr NO in 700 Torr air diluent were
The reaction of OH radicals with C6H5Br occurs
with
a
rate constant of k4 ¼ ð9:37 ꢀ 2:04ÞÂ
10À13 cm3 moleculeÀ1 sÀ1 at 295 ꢀ 2 K in 700 Torr
air. The expected product of a displacement mecha-
nism(viaaconcertedpathwayorviaformationofan
adduct), C6H5OH (phenol), was not observed.
References
[1] R. Atkinson, Atmos. Environ. 34 (2000) 2063.
[2] J.G. Calvert, R. Atkinson, K.H. Becker, R.M. Kamens,
J.H. Seinfeld, T.J. Wallington, G. Yarwood, Mechanisms

Y.Nakano et al./ Chemical Physics Letters 353 (2002) 77–83
83
of Atmospheric Oxidation of Aromatic Hydrocarbons,
Oxford University Press, Oxford, 2001.
[13] S.G. Lias, J.E. Bartmess, J.L. Holmes, R.D. Levine, W.G.
Mallard, J. Phys. Chem. Ref. Data (Suppl. 1) (1988)
17.
[3] T.J. Wallington, S.M. Japar, J. Atmos. Chem. 9 (1989) 399.
[4] B.J. Finlayson-Pitts, J.N. Pitts Jr., Atmospheric Chemistry:
Fundamentals and Experimental Techniques, John Wiley
and Sons, New York, 1986.
[14] W.B. DeMore, S.P. Sander, D.M. Golden, R.F. Hampson,
M.J. Kurylo, C.J. Howard, A.R. Ravishankara, C.E.
Kolb, M.J. Molina, Chemical Kinetics and Photochemical
Data for use in Stratospheric Modeling, JPL Publication
97-4, Jet Propulsion Laboratory, Pasadena, CA,
1997.
[5] T.J. Wallington, M.D. Hurley, Chem. Phys. Lett. 189
(1992) 437.
[6] H.L. Bethel, R. Atkinson, J. Arey, Int. J. Chem. Kinet. 33
(2001) 310.
[15] V.A. Platonov, Yu.N. Simulin, Russ. J. Phys. Chem. (Engl.
Transl.) 59 (1985) 179.
[7] P.H. Wine, D.H. Semmes, J. Phys. Chem. 87 (1983) 3572.
[8] G.S. Tyndall, J.J. Orlando, T.J. Wallington, M. Dill, E.W.
Kaiser, Int. J. Chem. Kinet. 29 (1997) 43.
[9] R. Atkinson, S.M. Aschmann, A.M. Winer, J.N. Pitts, Int.
J. Chem. Kinet. 14 (1982) 507.
[16] G.E. Davico, V.M. Bierbaum, C.H. Depuy, G.B. Ellison,
R.R. Squires, J. Am. Chem. Soc. 117 (1995) 2590.
[17] O. Sokolov, M.D. Hurley, T.J. Wallington, E.W. Kaiser, J.
Platz, O.J. Nielsen, F. Berho, M.T. Rayez, R. Lesclaux, J.
Phys. Chem. A 102 (1998) 10671.
[10] F. Witte, E. Urbanik, C. Zetzsch, J. Phys. Chem. 90 (1986)
3251.
[18] M.P.S. Andersen, D.A. Ponomarev, O.J. Nielsen, M.D.
Hurley, T.J. Wallington, Chem. Phys. Lett. 350 (2001) 423.
[19] M. Rinke, C. Zetzsch, Ber. Bunsenges. Phys. Chem. 88
(1984) 55.
[11] T.J. Wallington, D.M. Neuman, M.J. Kurylo, Int. J.
Chem. Kinet. 19 (1987) 725.
[12] C.L. Yaws, Chemical Properties Handbook, McGraw-Hill,
New York, 1999.
[20] R. Atkinson, J. Phys. Chem. Ref. Data 26 (1997) 215.