A calibration list of 295 lines observed over the 800 to 1170 cm to the -1 power region is presented. This list is intended for use as a calibration reference for calibrating diode laser spectra. The transition frequencies were calibrated against the well established laser frequencies of CO2. The estimated uncertainty in the corrected frequencies is + or - 1x.0001 cm to the -1 power

Brault, J. W.

Hillman, J. J.

Jennings, D. E.

English

NASA Technical Reports Server

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https://ntrs.nasa.gov/search.jsp?R=19820018523 2020-03-21T07:31:23+00:00Z
GN ^^
^v Q
u
(NASA-TM- 83953) A CALIBRATICt► LINE LISS FOR	 N82- 26399
607- 1167 cm - 1 FROM HIGH R45CLU'TION FCULIER
SPECTRQSCCPY OF ThE 14NH3 NU SUB 2 BAND
(NASA) 20 p HC A02/MR A01	 CSCL 07D	 Unclas
GJ/25 24368
AJ	 . RVGA
Technical Memorandum 83953
A Calibration Line List for
807,1167 cm -1 from High
Resolution Fourier SpectroscopyOf the 14^II"I3 v2 Band
n
J. J. Hillman
D. E. Jennings
J. W. Brault
JUNE '982
i
National Aeronautics andj	 Space Administration
Goddard Space Flight Center
Greenbelt, Maryland 20771
k
f
r
ORIGINAL PAGE IS
OF POOR QUALITY
A calibration line list for 807-1167 cin-1 from
high resolution Fourier spectroscopy of the
14 11N 3 v2 band
J. J. Hillman, D. E. Jennings
NASA, Goddard Space Flight Center
Molecutlar Astrophysics Section
Greenbelt, Maryland 20771
and
J. W. Brault
Kitt Peak National Observatory
Tucson, AZ 857205
I
G
ORIGINAL PAGE IS
OF POOR QUALITY
A calibration line list for 807-11 ,67 em-1 from
high resolution Fourier spectroscopy of the 14 NH 3 vp band
The ammonia 8 ., 12um bands are often used for calibrating diode laser
spectra, both because of the wide spectral extent of the bands and because the
gas is convenient to use. Fbwever, the accuracies of available NH3
frequencies have often been inadequate for absolute calibration; of diode
spectra. It is now Possible to significantly improve the NH 3 transition
frequencies by measuring them with respect to CO 2 standards using Fourier
transform spectroscopy. Besides improving the calibration of new spectra, the
results given here can be used to re-calibrate previously recorded diode laser
spectra. The frequencies can also be used, of course, in the calibration of
Fourier transform and grating spectra.
The accompanying line frequency list is the result of measuremants of a
spectrum recorded using the 11ci•lath 1-,-mmeter Fourier transform spectrometer at
Kitt Peek. The spectrum included the stronger lines of td'.-i 3 (in v2 and v4 ) and
CO2
 (9-114m laser bands) , and also lines of C 2H6 in the 12pm region. The path
length for both Mi 3 and CO2 , which ware contained in the same cell, was 193
meters, and the total pressure was 0.5 Torr. The resolution was 0.005 cm-1.
Using the well established laser frequencies for CO 2 (C. Freed, et al. 1990) an
average frequency correction was determined and applied over the entire
spectrum. The residuals of individual CO. measurements from the laser
frequencies were then used to establish error estimates for the NI1 3 and CO2
measurements.
Only normal isotope v2 NH 3 lines which were not blended with CO 2 , C2;i 6 , or
other NH 3
 lines h.:ve been tabulated, since this list is intended for use as a
calibration reference. The accuracy of these measurements can be ,judged from
Figure 1, which shows the residuals of our CO
2
 line frequencies from the known
laser frequencies. The systematic trend in the residuals is described closely
by
ORIGINAL PAGE IS
.OF POOR QUALITY
where sv and v are in cm-1 . The scatter about this slope reflects the
measurement precision and is limited by the intensity of the C01, lines as
compared to the noise in the spectrum. For the N3 measurements the errors are
estimated to be i10-4 cm-1 plus the systematic error given by (1) . [This
estimate is conservative - the actual accuracy may be better for the stronger
NH 3 lines.] T!113 gives error bars of approximately ±3x10 -4 em-1
 near $00 and
1170 cm-1 , and }1x10-4 em-1 near 1000 cm-1.
Alternatively, if the trend described by (1) is assumed to hold over the
entire 800-1170 cm -1 range, the observed frequencies can be corrected by
subtracting sv as given by (1). This correction has been applied and the
resulting frequencies are included in Table I. This procedure is certainly
valid fcr the range 900-1100 c:.n-1 and results in an R'4S residual of the C01
lines of 6.5x10
-5 cm-1 . Further error analyses will be naedel to decide if this
procedure is strictly valid for 300-900 and 1100-1170 cm -1 . The remaining error
on the frequencies after this correction is estimated to be ±1x10 -4 c:,-1.
Table I reveals the observed frequencies, corrected frequencies, transition
assignments, and reference frequencies for 295 lines observed over the 300-1170
CM-1 region. Amaonia assignments were confirmed by comparison with the analysis
of S. Urban and coworkers (1930) and their notation has been used for the
assignments. The notation employed for the Co t transitions is;
IP(J") or IR(J") are P- and R-branches frcm
oo0 1 - [1000, 02001 1 ; the 10.4µm band.
IMP) or IMP) are P- and R-branches from
000 1 - [1000 1 01°0] 11 the 9.4µm band.
In the table, the CO2 reference frequencies have been rounded off to the nearest
30 MHz.
NORIGINAL PAGE In	 ^#
REFERENCES fl^ POGR QUALITY14 	 ^^^
C. Freed, L. C. Bradley, and R. G. O'Donnell, IEEE J. Quantum Electron.
r	 QE-16, 1195-1206 (1980).
4 
S. -Urban, V. Spirko, D. Papousek, R. S. McDowell, N. G. 3areson, S. P. BeloV, L.
`	 I. Gershstein, A. V. Maslouskij, A. F. Krupnov, J. Curtis, and K. fl. Rao,
J. Mol. Spectrosc. 79 455-495 ( 1980).
t
l
OFigure Caption:	 RIGINAL PACE IS
OF POOR QUALITY
Figure 1
	
Residuals, ( observed—reference), of tha CO2 laser band line
frequencies. The straight line is the result of a linear
least— squares fit to these data and is given in Eq (1) .
w^^
e-fee
0
Cb
e 0 0
e	 e
e Ge
0
o00
e	
0
0 0
000 	 C.0
0	 e
ORICINAL PAGE 19
OF pOOR QUALITY
0
0
0
Lo
0
7
E
^'O V
0z
0 w
CY
w
cl:
u-
0
Lo
a)
el
0	 u 0 0 0
C\j 	 \j
I
I-wo gOl*x
 (33N3H3J3H-03AH3S80)
807.47115 807.47100 sP( 8, 3r
812.30116 812.30101 aP( 6, 4)
816.64962 816.64948 aP( 6, 0)
826 46988 826.46975 sP( 7 , 6)
826.85562 826.85549 sP( 7, 5)
827.70165 827.70152 sP( 7, 2)
827.83365 827.83352 sP( 7, 1)
827.87714 827.87701 sP( 7, 0)
830.65292 830.65279 aP( 5, 4)
834.01221 834.01208 r,P( 5, 2)
847.05252 847.05240 sP( 6, 5)
847.57820 847.57808 sP( 6, 3)
847.87626 847.87614 sP( 6, 1)
851.32800 851.32789 aP( 4, 3)
852.72478 852.72467 aP( 4, 2)
853.54817 853.54806 aP( 4, 1)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
1c
TABLE I
OBSERVED TRANSITION WAVENUMBERS
OBSERVED	 CORRECTED	 REFERENCE
LINE
	
FREQUENCY	 FREQUENCY
	
ASSIGNMENT	 FREQUENCY
---------
	 ---- ----	 ----	
-------
Ir
17 853.81817 853.81806 aP( 4, 0)
18 867.51988 867.51978 sP(	 5, 4)
19 867.87286 867.87276 sP(	 5, 2)
20 867.96668 867.96658 sP(	 5, 1)
21 868.00149 868.00139 sP(	 5 1 0)
22 871.73701 871.73691 aP(	 3, 2)
23 872.56721 872.56711 aP(	 3, 1)
24 887.87691 887.87682 sP(	 4, 3)
25 887.99914 887.99905 sP(	 4, 2)
26 888.07947 888.07938 sP(	 4, 1)
27 891.88196 891.88188 aP(	 2, 1)
28 892.15687 892.15679 aP(	 2, 0)
29 908.11244 908.11237 sP(	 3, 2)
30 908.17684 908.17677 sP(	 3, 1)
31 908.19928 908.19921 sP(	 3, 0)
32 910.01580 910.01573 IP(54)
33 912.23041 912.23034 IP(52)
34 912.38650 912.38643 aQ(12,12)
35 914.41946 914.41940 IP(50)
36 915.66754 915.66748 aQ(11,11)
37 916.58176 916.58170 IP(48)
38 918.62048 918.62042 aQ(10,10)
39 918.71841 918.71835 IP(46)
40 920.82912 920.82906 IP(44)
41 921.25522 921.25516 aQ(	 9, 9)
42 921.81246 921.81240 aQ(11,10)
43 922.91443 922.91437 IP(42)
910.015853
912.230703
914.419283
916.581770
918.718331
920.829123
922,914294
i44 923.57912 923.57906 aQ( 8, 8)
45 924.07031 924.07025 aQ(10, 9)
46 924.97410 924.97404 IP(40) 924.973985
47 925.59967 925.59961 aQ(	 7, 7)
48 926.04563 926.04157 aQ(	 9, 8)
49 926.88468 926.88463 aQ(11, 9)
50 927.00842 927.00837 IP(38) 927.008325
51 927.32312 927.32307 aQ( 6, 6)
52 927.74221 927.74216 aQ( 8, 7)
53 928.23207 928.23202 sP(	 2, 1)
54 928.55777 928.55772 aQ(10, 8)
55 928.75456 928.75451 aQ(	 5, 5)
56 929.01744 929.01739 IP(36) 929.017437
57 931.00151 931.00146 IP(34) 931.001434
58 931.12199 931.12194 aQ(	 8, 6)
59 931.17737 931.17732 aQ(	 5, 4)
60 931.33329 931.33324 aQ(	 2, 2)
61 931.62785 931.62780 aQ(	 1, 1)
62 931.77362 931.77357 aQ( 4, 3)
63 932.01131 932.01126 aQ(	 7, 5)
64 932.09416 932.09411 aQ(	 3, 2)
65 932.13630 932.13625 aQ(	 2, 1)
66 932.63562 932.63557 aQ(	 6, 4)
67 932.88134 932.88129 aQ(	 3, 1)
68 932.96039 932.96034 IP(32) 932.960421
69 932.99245 932.99240 aQ(	 5, 3)
70 933.07599 933.07594 aQ( 4, 2)
71 933.15724 933.15719 an( 9, 6)
72 933.82643 933.82638 aq( 6, 5)
73 933.84221 933.84215 an( 4, 1)
74 934.23622 934.23617 an(	 7, 4)
75 934.25186 934.25181 an(	 5, 9)
76 934.37975 934.37970 an(	 6, 3)
77 935.59242 935.59237 an(	 6, 2)
79 935.90351 935.90346 an(
	 7, 3)
79 936.08568 936.08563 an( 8, 4)
80 936.80380 936.80375 IP(28)
81 937.51585 937.51580 an(	 8, 3)
82 938.68829 938.68824 IP(26)
83 940.24375 940.24371 an( 9, 2)
84 940.54818 940.54814 IP(24)
85 942.38336 942.38332 IP(22)
86 944.19411 944.19407 IP(20)
87 945.98023 945.98019 IP(18)
88 '%47.74197 947.74193 IP(16)
89 948.23207 948.23203 SP(	 1, 0)
90 949.47935 949.47931 IP(14)
91 951.19232 951.19228 IP(12)
92 951.77628 951.77625 aR(	 0, 0)
93 952.88094 952.88091 IP(10)
94 954.54518 954.54515 IP(	 8)
95 956.18504 956.18501 IP(	 6)
96 957.80057 957.80054 IP(	 4)
97 957.83901 957.83898 sQ(12,12)
936.803748
938.688257
940.548098
942.383336
944.194030
945.980230
947.741979
949.479314
951.192264
952.880850
954.545087
956.184982
957.800537
ti
4f
98 959.39178 959.39175 IP(	 2) 959.391745
99 959.4063' 959.40634 sQ(11,'l1)
100 959.65262 959.65259 sQ(11910)
101 960.01991 960.01988 sQ(11, 9)
102 960.8522ti 960.85217 $Q(10010)
103 961.08575 961.08572 sQ(100 9)
104 961.41030 961.41027 sQ(100 8)
105 961.73?84 961.73281 IR(	 0) 961.732874
106 962.17146 962.17143 $Q(	 9, 9)
107 962.38829 962.38826 sQ(	 9, 8)
108 962.66974 962.66971 sQ(	 9, 7)
109 962.97354 962.97351 sQ(	 9, 6)
110 963.36269 963.36266 sQ(	 8, 8)
111 963.55847 963.55844 sQ(	 8, 7)
112 963.79617 963.79614 sQ( 8, 6)
113 964.04121 964.04118 sQ(	 8, 5)
114 964.42405 964.42403 sQ(	 7, 7)
115 964.46759 964.46757 sQ(	 8, 3)
116 964.59572 964.59570 sQ(	 7, 6)
117 964.76898 964.76896 IR( 4) 964.768982
118 964.79064 964.79062 sQ(	 7, 5)
119 964.97946 964.97944 sQ(	 7, 4)
120 965.13759 965.13757 sQ(	 7, 3)
121 965.35394 965.35392 sQ(	 6, 6)
122 965.49944 965.49942 sQ(	 6, 5)
123 965.65196 965.65194 sQ(	 6, 4)
124 965.79130 965.79128 sQ( 6, 3)
125 965.89959 9^r,89957 sQ( F, 2)
126 966.15118 966.15116 sQ(	 5, 5)
127 966.25038 966.25036 IR(	 6) 966.250361
128 966.26923 966.26921 sQ(	 5 9 4)
129 966.37989 966.37987 sQ(	 5, 3)
130 966.47359 966.47357 sQ(	 5, 2)
131 966.81475 966.81473 sQ( 4, 4)
132 966.90516 966.90514 sQ(	 4, 3)
133 966.98085 966.98083 sQ( 4, 2)
134 961.03073 967.03071 sQ( 4, 1)
135 967.34637 967.34635 sQ(	 3, 3)
136 967.40679 967.40677 sQ(	 3, 2)
137 967.44925 967.44923 sQ(	 3, 1)
138 967.70725 967.70723 IR(	 8) 967.707233
139 967.73858 967.73856 sQ(	 2 0 2)
'40 967.77443 967.77441 sQ( 2 0 1)
141 967.99787 967.991'85 sQ(	 1, 1)
142 969.13957 969.13955 IR(10) 969.139547
143 970.54729 970.54727 IR(12) 970.547244
144 971.88211 471.88209 aR(	 1, 1)
145 971.93026 971.93024 IR(14) 971.930258
146 973.28852 973.1850 IR(16) 973.288517
147 974.62194 974.62192 IR(18) 974.621939
148 975.93045 975.93043 IR(20) 975.930439
149 977.21390 977.21389 IR(22) 977.213922
150 978.47231 978.47230 IR(24) 978.472286
151 979.70544 979.70543 IR(26) 979.705421
{
i
152 980.91321 980.91320 IR(28) 980.913211
153 982.09555 982.09554 IR(30) 982.095531
154 983.25224 983.25223 IR(32) 983.252249
155 984.38319 984.38318 IR(34) 984.383226
156 985.48829 985.48828 IR(36) 985.488312
157 986.56735 986.56734 IR(38) 986.567352
158 987.62018 987.62017 IR(40) 987.620181
159 988.64678 988.64677 IR(42) 988.646626
160 989.64656 989.64656 IR(44) 989.646506
161 990.61972 990.61972 IR(46) 990. 619630
162 991.56556 991.56656 IR(48) 991.565798
163 991.69048 991.69048 aR(	 2, 2)
164 992.45027 992.45027 aR(	 2, 1)
165 992.48478 992.48478 IR(50) 992.484803
166 992.69874 992.69874 aR(	 2, 0)
167 993.37626 993.37626 IR(52) 993.376427
168 994.24039 994.24039 IR(54) 994.240442
169 1007.77136 1007.77137 IIP(58) 1007.771302
170 1011.20358 1011.20359 aR(	 3, 3)
171 1012.29178 1012.29179 IIP(54) 1012.291767
172 1012.44511 1012.44512 aR(	 3, 2)
173 1013.17552 1013.17553 aR(	 3, 1)
174 1014.51795 1014.51796 1IP(52) 1014.517888
175 1016.72089 1016.72091 IIP(50) 1016.720942
176 1018.90073 1018.90075 IIP(48) 1018.900693
177 1021.05702 1021.05704 IIP(46) 1021.056912
178 1023.18942 1023.18944 IIP(44) 1023.189375
1025.29758 1025.29790 11P(42) 1025.297865
1027.03293 1027.03295 sR(	 2, 2)
1027.04693 1027.04695 sR( 2, 1)
1027.38208 1027.38211 IIP(40) 1027.382171
1029.44206 1029.44209 11P(38) 1029.442092
1030.42233 1030.42236 aR(	 4, 4)
1031.47736 1031.47739 IIP(36) 1031.477430
1032.13104 1032,13107 aR(	 4, 3)
1033.31572 1033.31575 aR( 4, 2)
1033.48793 1033.48796 IIP(34) 103?.487999
1034.01276 1034.01279 aR( 4, 1)
1034.24483 1034.24486 aR(	 4, 0)
1035.47355 1035.47358 IIP(32) 1035.473616
1037.43405 1037.43408 IIP(30) 1037.434110
1039.36925 1039.36928 IIP(28) 1039.369315
1041.27901 1041.27905 IIP(26) 1041.279074
1043.16320 1043.16324 IIP(24) 1043.163239
1045.02177 1045.02181 IIP(22) 1045.021670
1046.37459 1046.37463 sR(	 3, 3)
1046.38808 1046.38812 sR(	 3, 2)
1046.85417 1046.85421 IIP(20) 1046.854234
1048.66075 1048.66079 IIP(18) 1048.660810
1049.34636 1049.34640 aR( 5, 5)
1050.44123 1050.44127 IIP(16) 1050.441282
1051.51193 1051.51197 aR(	 5, 4)
1052.19548 1052.19552 IIP(14) 1052.195545
1053.13041 1053.13046 aR(	 5, 3)
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
e
206 1053.92342 1053.92347 IIP(12) 1053.923503
207 1054.25268 1054.25273 aR( 5, 2)
208 1054.91256 1054.91261 aR(	 5, 1)
209 1057.30008 1057.30013 IIP(	 8) 1057.300161
210 1058.94866 1058.941871 IIP(	 6) 1058.948714
211 1060.57059 1060.57064 IIP(	 4) 1060.570666
212 1062.16591 1062.16596 YIP(	 2) 1062.165965
213 1064.50881 1064.50886 IIR(	 0) 1064.508853
214 1065.58138 1065.58144 sR(	 4, 2)
215 1065.59424 1065.59430 SR( 4, 1)
216 1066.03729 1066.03735 IIR(	 2) 1066.037360
217 1067.53901 1067.53907 IIR(	 4) 1067.539110
218 1067.97433 1067.97439 aR(	 6, 6)
219 1069.01404 1069.01410 IIR(	 6) 1069,014093
220 1070.46227 1070.46233 IIR(	 8) 1070.462308
221 1070.59095 1070.59101 aR(	 6, 5)
222 1071.88370 1071.88376 IIR(10) 1071.883766
223 1072.62742 1072.62748 aR(	 6, 4)
224 1073.27837 1073.27843 IIR(12) 1073.278484
225 1074.14922 1074.14928 aR(	 6, 3)
226 1074.64643 1074.64649 IIR(14) 1074.646490
227 1075.20312 1075.20318 aR(	 6, 2)
228 1075.82287 1075.82293 aR( 6, 1)
229 1075.981}°7 1075.98783 IIR(16) 1075.987820
.	 230 1076.03304 1076.03310 aR(	 6, 0)
231 1017.30242 1077.30248 IIR(18) 1077.302520
232 1078.59055 1078.59062 IIR(20) 1078.590644
233 1079.85218 1079.85225 IIR(22)
234 1081.08736 1081.08743 IIR(24)
235 1082.29613 1082.29620 IIR(26)
236 1083.47873 1083.47880 IIR(28)
237 1084.58158 1084.58165 sR(	 5, 4)
238 1084.59365 1084.59372 sR(	 5, 3)
239 1084.60958 1084.60965 SR(	 5 1 2)
240 1085.76538 1085.76545 IIR(32)
241 1086.30383 1086.30390 aR(	 7, 7)
242 1086.86970 1086.86977 IIR(34)
243 1087.94824 1087.94831 11R(36)
244 1089.00108 1089.00115 IIR(38)
245 1089.36989 1089.36996 aR( 7, 6)
246 1090.02831 1090.02838 IIR(40)
247 1091.03018 1091.03026 IIR(42)
248 1091.81176 1091.81184 aR(	 7, 5)
249 1092.00663 1092.00671 II9(44)
250 1092.95817 1092.95825 IIR(46)
251 1093.71135 1093.71143 SR(	 7 1 4)
252 1093.88465 1093.88473 IIR(48)
253 1094.78647 1094.78655 IIR(50)
254 1095.12927 1095.12935 aR(	 7, 3)
255 1095,66352 1095.66360 IIR(52)
256 1096.11272 1096.11280 aR(	 7, 2)
257 1096.51627 1096,51635 IIR(54)
258 1096.68969 1096.68977 aR(	 7, 1)
259 1097.34476 1097.34484 IIR(56)
1079.852255
1081.087426
1082.296237
1083.478778
1085.765445
1086.869791
1087.948306
1089.001119
1090.028367
1091.030196
1092.006758
1092.958211
1093.884721
1094.786462	 4
1095.663612
1096.516356
1097.344886
260 1098.14952 1098.14960 IIR(58) 1098.149398
261 1104.33222 1104.33231 aR( 8, 8)
262 1107.84947 1107.84956 aR( 8, 7)
263 1110.68896 1110.68905 aR( 8, 6)
•	 264 1112.94921 1112.94930 aR( 8, 5)
265 1114.70659 1114.70668 aR( 8, 4)
266 1116.01958 1116.01968 aR( 8, 3)
267 1116.92689 1116.92699 aR( 8, 2)
268 1117.45857 1117.45867 aR( 8, 1)
269 1117.64778 1117.64788 aR( 8, 0)
270 1122.05523 1122.05533 aR( 9, 9)
271 1122.09397 1122.09407 sR( 7, 5)
272 1122.10365 1122.10375 sR( 7, 4)
273 1122.11782 1122.11792 sR( 7, 6)
274 1122.13281 1122.13291 sR( 7, 3)
275 1122.16004 1122.16014 sR( 7, 2)
276 1122.20348 1122.20358 sR( 7, 7)
277 1126.02943 1126.02953 aR( 9, 8)
278 1129.26163 1129.26174 aR( 9, 7)
279 1131.86948 1131.86959 aR( 9, 6)
280 1133.94455 1133.94466 aR( 9, 5)
281 1135.55636 1135.55647 aR( 9, 4)
282 1136.75729 1136.75740 aR( 9, 3)
283 1137.59202 1137.59213 aR( 9, 2)
284 1138.07735 1138.07746 aR( 9, 1)
285 1140.60344 1140.60355 sR( 8, 4)
286 1140.67889 1140.67900 sR( 8, 2)
287 1140.69947 1140.69958 sR(	 8, 1)
288 1143.90793 1143.90805 aR(10, 9)
289 1147.53216 1147.53228 aR(10, 8)
290 1150.47819 1150.47831 aR(10, 7)
291 1152.85274 1152.85286 aR(10, 6)
292 1156.20774 1156.20787 aR(10, 4)
293 1157.30433 1157.30446 aR(10, 3)
294 1158.66723 1158.66736 aR(10, 0)
295 1165.50226 1165.50239 aR(11, 9)


A calibration line list for 807-1167 cm -1 from high resolution Fourier spectroscopy of the 14NH3 nu sub 2 band

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