NCAR/TN-258 + STR
NCAR TECHNICAL NOTE
September 1985
Approximate Absorption Cross Sections
of F12, F11, CIONO2, N 20 5, HNO3, CCI 4,
CF4, F21, F113, F114, and HN04
S.T. Massie
A. Goldman
D.G. Murcray
J.C. Gille
ATMOSPHERIC CHEMISTRY DIVISION
NATIONAL CENTER FOR ATMOSPHERIC RESEARCH
BOULDER, COLORADO
iii
CONTENTS
List of Figures ...........................................
Preface ............................
.
v
.........................
vii
Text .................................. ...................
1
References ..........................
3
....
Tables .........................................................
5
Figures ........................................................
8
v
List of Figures
Page
Figure
Cross section data for Fll (CFC13) for 830-860 cm 1
8
2
1
Cross section data for Fll (CFC1 3) for 1060-1100 cm .
9
3
1
Cross section data for F12 (CF2C12) for 860-940 cm .
10
4
1
Cross section data for F12 (CF2C12) for 916-925 cm .
11
5
Cross section data for F12 (CF2 C12 ) for 1070-1180 cm
6
Cross section data for F12 (CF2C12 ) for 1156-1164 cm
7
Cross section data for ClONO2 for 765-820 cm
8
- 1
Cross section data for ClONO2 for 779-781 cm
9
Cross section data for ClONO2 for 1270-1310 cm
10
Cross section data for ClON0 2 for 1285-1300 cm
11
12
Cross section data for N205 for 1225-1265 cm-1
Cross section data for N205 for 1680-1780 cm .19
13
Cross section data for HNO3 for 840-930 cm
14
15
. 12
1
13
-1 1
.14
15
1
-1
16
.17
18
1
20
-1
Cross section data for HNO3 for 875-883 cm .
15Crossseci-1
Cross section data for HNO3 for 1270-1350 cm .
21
22
23
18
1 .
Cross section data for HNO 3 for 1320-1330 cm
-1
Cross section data for HNO4 for 770-830 cm .
-1
Cross section data for HNO4 for 800-805 cm .
19
Cross section data for CC1 4 for 786-806 cm .
26
21
-1
Cross section data for F21 (CHC12 F) for 785-840 cm
16
17
22
23
24
25
1
Cross section data for F21 (CHC12F) for 800-808 cm .
ccm
1050 cm
Cross section data for F21 (CHC1 F) for 1050-1100
2
28
29
.
3-100
30
vi
Page
Figure
24
Cross section data for F21 (CHC1 2F) for 1070-1086 cm 1
25
Cross section data for F113 (C2C13F3) for 1090-1230 cm 1. 32
26
Cross section data for F114 (C2C12F4) for 1025-1160 cm1
27
Cross section data for F114 (C2C12F4) for 1160-1290 cm 1 . 34
31
33
vii
PREFACE
This Technical Note presents figures of approximate absorption
cross sections for selected infrared bands of F12, Fll, ClON02, N205,
HNO3 , CC14 , CF4 , F21, F113, F114 and HNO4 at 0.03 cm-1 resolution.
The
coefficients displayed here are useful in a variety of high resolution
remote sensing studies.
The work reported here is supported in part by the NASA Upper
Atmosphere Research Satellite (UARS) program. A. Goldman and D. G.
Murcray are associated with the University of Denver.
1
This Technical Note displays approximate absorption cross sections
for selected infrared bands of F12 (CF2C12), Fll (CFC1 3), ClON
2,
N 205 ,
HNO 3, CC14, CF4 , F21 (CHC12F), F113 (C2C13F3 ), F114 (C2C12 F4 ), and HNO 4 .
These species play active roles in the chemistry and radiation budgets
of the troposphere and stratosphere, but are difficult to analyze on a
line-by-line basis.
Indeed, with the exception of line parameters of
some of the HNO 3 bands on the 1982 AFGL catalog
'2,
high resolution
spectral parameters are not available for any of the bands presented
here.
The cross sections were derived from analysis of laboratory transmission data acquired at the University of Denver 3.
Each cross section
was obtained by dividing the natural log of the transmittance by the
negative of the column density. Although some of the laboratory measurements may not be in the linear region of the curve of growth and the
resolution does not always reflect the true line structure, the approximate
Beer's law absorption coefficients displayed here are useful in a variety
of high resolution remote sensing studies.
Table 1 lists measurement
parameters of cell length, temperature, pressure, and column density.
Table 2 lists the transmittances of the strongest spectral features, the
corresponding peak cross sections, and the band integrated absorption.
The original laboratory data were taken at a resolution near 0.02 cm
-1
and smoothed with a FWHM triangular slit function of 0.03 cm
files at NCAR tabulate the data at every 0.011 cm .
Computer
Computer file and
format information is available upon request from the authors.
In general, the accuracy of the data is of the order of ten to
twenty-five percent.
For F113 the cross sections were normalized to
2
match those obtained by Jim Davidson and Ben Anderson of NCAR (personal
communication, 1985).
For CF4 the cross sections are based upon an
assumed integrated absorption of 1520 cm -2 atm -1 for the main Q branch
(1282.7 to 1283.4 cm 1 )4 .
The cross section data is displayed in two formats.
For each
species there is a figure which spans the complete molecular band.
Several additional figures also show the data for a narrow range of
wavenumber in which particularly strong spectral features occur.
Minimum transmittances for the laboratory spectra range between .17
and .93 (see Table 2).
A portion of the cross section data therefore
likely lies in the nonlinear curve of growth regime.
One must be aware
that errors are introduced when the data set is used to infer abundances
for regimes of column density, temperature, and pressure which differ
from the conditions stated in Table 2.
3
References
1.
L. S. Rothman, R. R. Gamache, A. Barbe, A. Goldman, J. R. Gillis,
L. R. Brown, R. A. Toth, J.-M. Flaud, and C. Camy-Peyret, "AFGL
atmospheric absorption line parameters compilation:
1982 edition,"
Appl. Opt., 22, 2247 (1983).
2.
L. S. Rothman, A. Goldman, J. R. Gillis, R. R. Gamache, H. M.
Pickett, R. L. Poynter, N. Husson, and A. Chedin, "AFGL trace gas
compilation:
3.
1982 version," Appl. Opt., 22, 1616 (1983).
D. G. Murcray, F. J. Murcray, A. Goldman, F. S. Bonomo, and R. D.
Blatherwick, "High Resolution Infrared Laboratory Spectra," University of Denver, Department of Physics, April, 1984.
4.
A. Goldman, D. G. Murcray, F. J. Murcray, G. R. Cook, J. W. Van Allen,
F. S. Bonomo, and R. D. Blatherwick, "Identification of the v3
vibration-rotation band of CF4 in balloon-borne infrared solar
spectra," Geophys. Res. Lett., 6, 609 (1979).
Table 1. Laboratory Measurement Parameters
Wavenumber Range
c-1
cm
Species
Pressure
torr
_
Cell Length
cm
Temperature
K
Col umn
molmoec
ec cm-2
___
830-860
0.07
22
296
5.0
(16)
1060-1100
0.07
22
296
5.0
(16)
860-940
0.20
22
296
1.44 (17)
1070-1180
0.20
22
296
1.44 (17)
785-840
1.0
5
296
1.63 (17)
1050-1100
1.0
5
296
1.63 (17)
F113 (C2C13 F3 )3
1090-1230
6.0
5
296
9.78 (17)
F114 (C2C12 F4 )
1025-1160
1.8
5
296
2.97 (17)
1160-1289
1.8
5
296
2.97 (17)
786-806
0.34
5
296
5.54 (16)
1275-1287
0.04
2
295
2.62 (15)
765-820
1.5
5
296
2.45 (17)
1270-1310
1.5
5
296
2.45 (17)
1225-1265
0.15
45
296
2.20 (17)
1680-1780
0.15
45
296
2.20 (17)
Fl1
(CFC13 )
F12 (CF2 C12 )
F21 (CHC1
CC1
4
CF
4
C10NO
^6
NO0
25
2
5
2
2 F)
-·I
in
7
HNO03
HN0O
4
1 5.0 (16)
2
840-930
0.147
100
296
4.79 (17)
1270-1350
0.147
100
296
4.79 (17)
0.70
100
268
2.52 (18)
770-830
reads 5 x 1016
includes weak residual channel spectrum
pressure is approximate, cross sections were renormalized (see text)
baseline transmission is estimated, cross sections were renormalized (see text)
stated pressure includes small contribution from HNO3
6some contamination near 1700 cml
by HNO3 and H20
7 absorption spectra near 1350 cm -1 is incomplete
8stated pressure is dominated by NO2 , H20 2 , N 204 and HNO3
cr
Table 2. Measurement Parameters
Species
Wavenumber Range
-1
Minimum Transmittance
cm
Integrated Absorption
-1
cm -2 atm
Peak Cross
section
2
cm
__
_
F11 (CFC1 3 )
830-860
.80
4.6 (-18)1
.93
F12 (CF2C12 )
1060-1100
860-940
1070-1180
785-840
1050-1100
1090-1230
.17
1.4 (-18)
5.1 (-18)
1.2 (-17)
.60
1.9 (-18)
1.2 (-18)
1.5 (-18)
1025-1160
1160-1289
786-806
.65
.52
.79
1.4 (-18)
2.2 (-18)
4.4 (-18)
1275-1287
765-820
1270-1310
.71
.72
.63
.66
HNO3
1225-1265
1680-1780
840-930
1.3 (-16)
1.3 (-18)
1.8 (-18)
1.9 (-18)
.60
.51
2.2 (-18)
1.4 (-18)
3.68 (2)
6.99 (2)
1.02 (3)
2.88 (3)
4.90 (2)
HNO4
1270-1350
770-830
.47
.48
1.5 (-18)
2.9 (-19)
9.24 (2)
8.17 (1)
F21 (CH1 2 F)
F113 (C2C13F 3 )
F114 (C2C12 F4)
CC14
CFON0
C1ONO 2
N2 05
.48
.73
.82
1.49 (3)
5.98 (2)
1.52 (3)
1.77 (3)
6.79 (2)
6.25 (2)
2
1.48 (3)
1.49 (3)
8.79 (2)
3
1 4.6 (-18) reads 4.610 - 18
2
pressure is approximate, croc,
3baseline
is (
transmission is
baseline transmission
·,:·
4 -V
"'
I
s(~~
f~
< CA
I
8
F 11
5.0
4.5
4.0
3.5
3.0
0
2.5
9f
to
2.0
in
1.5
1.0
.5
n
830 832 834 836 838 840 842 844 846 848 850 852 854 856 858 860
WAVENUiBER I1/CH I
- 1.
Figure 1. Cross section data for Fll (CFC1 3) for 830-860 cm
9
F 1
15
14
13
12
11
cm
10
0
,,
0
9
8
0
o
z
k-
7
In
6
Il
0
5
4
3
2
1
0
1060
1065
1070
1075
1080
1085
1090
1095
1100
WAVENUMBER I1/CM)
Figure 2.
Cross section data for Fll (CFC1 3 ) for 1060-1100 cml 1 .
10
F12
aD . IC
5.0
4.5
4.0
rc
-
3.5
o
3.0
.
z
o
0
bLJ
Cf
Ln
0
2.0
1 .5
1.0
.5
n
860
870
880
890
900
WAVENUMBER
910
920
930
940
I1/CIM
- .
Figure 3. Cross section data for F12 (CF2 C12 ) for 860-940 cm
11
F12
v . v.
5.0
4.5
cq
o
4.0
()
'o
z
0-
Io
n
3.5
3.0
U,
O
w
2.5
2.0
1.5
1 .0
916
917
918
919
920
921
WAVENUMBER (1/CM)
922
923
924
925
1
Figure 4. Cross section data for F12 (CF2C12o
for 916-925 cm 1.
2) 91-25m
12
F12
12
11
10
9
fM^
z:
u
8
_-
7
o
0
z
6
0
I-
"
(,
5
Ln
o
u
4
3
2
1
n
1070
1080
1090
1100
1110
1120
WAVENUMBER
Figure 5.
1130
1140
1150
1160
1170
1180
(1/CM)
- 1.
Cross section data for F12 (CF2 C12) for 1070-1180 cm
13
F12
12
11
10
9
8
CM
0
aD
7
I
0
z
o
6
-
w
u,
(n
5
(n
Io
4
u
3
2
1
n
1156
1157
1158
1159
1160
WAVENUMBER
1161
1162
1163
116 4
1/Cn)
Figure 6. Cross section data for F12 (CF22 C122 ) for 1156-1164 -cm1
14
CLON02
14
13
12
11
10
ru
r
9
o_
7
8
o
zZ
7
o
tn
5
u
4
3
2
0
765
770
775
780
785
790
WAVENUMBER
Figure 7.
795
800
805
810
815
I1/CM)
Cross section data for ClON022 for 765-820 cm-1 .
820
15
CLON02
14
j1
'
X
'
X
'
'I
'
i'I
13
12
11
10
I
£
9
8
o
z
7
t
L
6
C&J
(I
0
4
3
2
N".
.1
0
779.0
I
I
I I I
I I
I I
779.2
779.4
779.6
779.8
I
780.0
WAVENUMBER
A
I
780.2
,
I
780.4
I
780.6
j
I I
780.8
781.0
(1/CM)
Figure 8. Cross section data for CION0 2 for 779-781 cm 1 .
16
CLON02
20
18
16
14
..
12
o
0
zo
0
10
8
0
cn
o
o
6
4
2
n
1270
1275
1280
1285
1290
1295
1300
1305
1310
WAVENUMBER (1/C
Figure 9. Cross section data for ClON0 2 for 1270-1310 cm
1
17
CLON02
20
18
16
C"
x
u
14
0
z
12
0
LhJ
u,
10
0
8
6
4
1284
1286
1288
1290
1292
1294
1296
1298
WAVENUMBER (1/(
Figure 10.
Cross section data for C10NO 2 for 1285-1300 cm-1
2
1300
18
N205
20
18
16
14
r-
12
0
z
10
0
(-)
L&J
cr
0
u
8
Ln
6
4
2
n
225
1225
1230
1235
1240
1245
WAVENUMBER
Figure 11.
1250
1255
1260
1265
(1/CM)
Cross section data for N205 for 1225-1265 cm
.
19
N205
-%
A
24
_
_
22
20
18
<v
r
uo
°:
16
14
0
z
12
L
10
0
(n
0
a:
u
8
6
4
2
0
1680
1690
1700
1710
1720
1730
WAVENUMBER
Figure 12.
1740
1750
1760
1770
(1/CM)
Figure
ssection
12.ionCross
da for
for NN0
cm
Cross
data
cm
205 for 1680-1780-1780
1780
20
HN03
la .
10
I
1
I
v
I
I
I
I
I
14
12
t.4
u
10
0
o
-I.16 Ad1 L I
8
z
0
w*
U
(n
Wo
0
4
2
.0
840
850
860
870
880
WAVENUNBER
Figure 13.
890
900
910
920
(1/CM)
Cross section data for HN03 for 840-930 cm 1 .
9 30
21
HN03
12
11
10
9
rsI
r
8
z0
o
$.
o
6
L.J
,-
cn
o
r
5
4
3
2
1
875
876
877
878
879
WAVENUMBER
Figure 14.
880
881
882
(1/CM)
ross data
section
gure14.
Cross
section
data for
for HN
HNO 3 for
for 875-883
875-883 cm1
cm
883
22
HN03
16
14
12
(N
rs
cj
u
10
0
z
8
0
tu
(0n
6
o
0
4
2
.
1270
1280
1290
1300
1310
WAVENUMBER
Figure 15.
1320
1330
1340
(1/CM)
Cross section data for HNO3 for 1270-1350 cml.
1350
23
HN03
16
15
14
13
12
(C'
r
11
I0
o
z
0
0
10
9
8
LaJ
LA
0
7
6
5
4
3
2
1320
1321
1322
1323
1324
1325
WAVENUMBER
Figure 16.
1326
1327
1328
1329
1/CM
Cross section data for HNO 3 for 1320-1330 cm
1.
1330
24
HN04
,
J.
u
.
2.8
2.6
2.4
2.2
2.0
r4
u
1.8
of
to
f
1 .2
r
1.0
.8
.6
.4
.2
0
770
775
780
785
790
795
800
WAVENUMBER
Figure 17.
805
810
815
820
825
1/CM)
Cross section data for HN04 for 770-830 cmr 1 .
830
25
HN04
3.0
2.8
2.6
2.4
2.2
2.0
o
°.
1.8
z
"2
0
I,,,
1.
u
1.6
en
1.4
0o
u
1.2
1.0
.8
.6
4
800.0
800.5
801.0
801.5
802.0
802.5
WAVENUMBER
Figure 18.
803.0
803.5
804.0
804.5
(1/CM)
Cross section data for HN04 for 800-805 cm 1 .
805.0
26
CCL4
a-
4. 5
A
4.0
3.5
3.0
x
Nr
u
D
z
0
(n
0
1
.5
1.0
.5
0
786
788
790
792
794
796
WAVENUMBER
Figure 19.
798
800
802
804
(1/CM)
Cross section data for CC1 4 for 786-806 -cm1
806
27
CF4
_
11.j
I .J
It
-
1.2
1 .1
1.0
.9
rt
m:
0
.8
0
_-
.7
z
o
..6
o
0
.4
.3
.2
.1
0
1275
1276
Figure 20.
1277
1278
1279
1280
1281
1282
WAVENUMBER
1/CM)
1283
1284
1285
1286
Cross section data for CF4 for 1275-1287 cm- 1.
1287
28
F21
20
18
16
14
CM
12
0
z
0
o
t
10
Lo
On
8
o
a:
6
4
2
0
785
790
795
800
805
810
WAVENUMBER
Figure 21.
815
820
825
830
835
(1/CM)
Cross section data for F21 (CHC1 2F) for 785-840 cm- 1 .
840
29
F21
20
18
16
14
12
o
0
z0 Z
10
O
I-
in
8
(iA
0
6
4
2
n
800
01
8002
803
804
WAVENUMBER
Figure 22.
805
806
807
(1/CM
- 1.
Cross section data for F21 (CHC1 2F)for 800-808 cm
808
30
F21
13
12
11
9
o
I
.
1
7
z
0
I-4
6
Le
LAJ
LA
5
1:
CA
L.)
4
3
2
1
0
1050
I
1055
1060
1065
1070
1075
WAVENUMBER
Figure 23.
1080
1085
1090
1095
1100
(1/CM)
Cross section data for F21 (CHC1 2 F) for 1050-1100 cm1 .
31
F21
13
12
11
10
Z
<
9
0
t-z
8
0
LJ
7
u
U,
0
6
5
4
3
1070
1072
1074
1076
1078
1080
1082
1084
1086
WAVENUMBER (1/C
Figure 24. Cross section data for F21 (CHC1 2F) for 1070-1086 cm 1.
32
F1 13
18
16
14
rt~
12
o
0
z
O
I-$
Or
10
8
6
4
2
n
1090 1100
1110 1120 1130
1140 1150
1160 1170
WAVENUMBER
Figure 25.
1180 1190
1200
1210 1220 1230
(I/CM)
Cross section data for F113 (C2C13F3) For 1090-1230 cm
1.
33
Fl 14
16
14
12
'
110
0
o
0
n."
C-)
LJ
(1)
e)
6
o
0:
u
4
2
0
1020 1030
1040
1050 1060
1070
1080 1090
WAVENUMBER
1100 1110
1120 1130
1140
1150 1160
(1/CM)
Figure 26. Cross section data for F114 (C2C12F4 ) for 1025-1160 cm 1.
34
F1 14
22
20
18
16
Irv
u
I
o
14
12
z
0
k-
10
,
(f)
(n
o
0
o
cr
u
8
6
4
2
a
1160 1170 1180 1190 1200 1210 1220 1230 1240 1250 1260 1270 1280
WAVENUMBER
Figure 27.
1290
1/CM)
Cross section data for F114 (C 2C12F 4) for 1160-1290 cmn 1.