emission spectra of h 2 17 o and h 2 18 o from 320 to 2500 cm -1 semen mikhailenko 1, georg mellau...
TRANSCRIPT
Emission Spectra of H217O and H2
18O from 320 to 2500 cm-1
Semen MIKHAILENKO1, Georg MELLAU2, and Vladimir TYUTEREV3
1 Laboratory of Theoretical Spectroscopy, Institute of Atmospheric Optics,Tomsk, RUSSIA
2 Justus-Liebig-Universitäet and Physicalisch-Chemisches-Institut,Giessen, GERMANY
3 Groupe de Spectrométrie Moléculaire et Atmosphérique, Université de Reims Champagne-Ardenne,
Reims FRANCE
Laboratory measurement conditions for emission spectra of water enriched by oxygen-17 and by oxygen-18
Emission of H217O & H2
18O
Filename MEH2ON MEH2OM MEH2OL ZH2ODX MEH2OW
Gas temperature /K 1950 1950 1520 1570 1950
Pressure /mbar 14.0 16.0 1.0 9.8 18.0
Resolution / cm-1 0.0055 0.0055 0.0036 0.0055 0.015
Scans 120 700 700 20 160
Length of the Cell 1 m
Diameter of the Cell 46 mm
Length of Hot Zone 50 cm
Detector Ge:Cu InSb
Detector window CsJ KBr CaF2
Cell window CsJ KBr CaF2
Aperture spectrometer / mm 3.15 3.15 3.15 2.0 2.0
Measurement range / cm-1 322-524 322-524 322-524 1136-1790 1655-4650
Laboratory measurement conditions for emission spectra of water enriched by oxygen-17 and by oxygen-18
Emission of H217O & H2
18O
Filename MEH2ON MEH2OM MEH2OL ZH2ODX MEH2OW
Gas temperature /K 1950 1950 1520 1570 1950
Pressure /mbar 14.0 16.0 1.0 9.8 18.0
Resolution / cm-1 0.0055 0.0055 0.0036 0.0055 0.015
Scans 120 700 700 160
Length of the Cell 1 m
Diameter of the Cell 46 mm
Length of Hot Zone 50 cm
Detector Ge:Cu InSb
Detector window CsJ KBr CaF2
Cell window CsJ KBr CaF2
Aperture spectrometer / mm 3.15 3.15 3.15 2.0 2.0
Measurement range / cm-1 322-524 322-524 322-524 1136-1790 1655-4650
In addition, the emission spectrum of H2O/HDO/D2O mixture (T=1370, range: 380-860 cm-1) was used.
S.N. Mikhailenko, Vl.G. Tyuterev, G. Mellau, (000) and (010) states of H218O:
Analysis of rotational transitions in hot emission spectrum in the 400 – 850 cm -1 region // J. Mol. Spectrosc. 217 (2003) 195-211
Overview of the emission spectrum in the 1650–2600 cm-1, P=18 mbar, T=1950K
Emission of H217O & H2
18O
1800 2000 2200 2400 2600
0.0
0.4
0.8
1.2
1.6
Wavenumber /cm-1
Emissivity (a.u.)
Statistics of observed water lines in the 322 – 860 and 1136 – 2500 cm-1 spectral regions
Emission of H217O & H2
18O
Spectral Region (cm-1) 322 – 860 1136 – 2500
Totally 17738 11253
Unassigned 9836 1418
H216O 3958 6430
H217O 400 1704
H218O 430 1701
HD16O 2260
D216O 854
Statistics of observed water lines in the 322 – 860 and 1136 – 2500 cm-1 spectral regions
Emission of H217O & H2
18O
Spectral Region (cm-1) 322 – 860 1136 – 2500
Totally 17738 11253
Unassigned 9836 1418
H216O 3958 6430
H217O 400 1704
H218O 430 1701
HD16O 2260
D216O 854
Previous studies on the H217O and H2
18O molecules (in absorption, room temperature)
H217O 153 1015
H218O 207 1419
Statistics of the H217O observed transitions
Emission of H217O & H2
18O
Band Trans. Num. J, KaRegion (cm-1)
000 – 000 240 27, 16 325 – 827
010 – 000 768 29, 14 1153 – 2406
010 – 010 100 23, 11 324 – 624
020 – 010 559 26, 12 1150 – 2193
020 – 020 30 12, 9 326 – 497
020 – 100 3 11, 10 426 – 505
100 – 010 21 15, 10 1228 – 2452
100 – 100 14 12, 9 339 – 502
100 – 020 1 7, 4 380.782
001 – 010 49 18, 9 1832 – 2487
001 – 001 17 12, 11 334 – 494
030 – 020 249 24, 9 1183 – 2136
110 – 100 25 21, 8 1293 – 2090
110 – 020 6 15, 6 1801 – 2380
011 – 001 17 17, 7 1302 – 1996
011 – 020 14 16, 6 1896 – 2442
040 – 030 36 11, 5 1189 – 1899
120 – 110 2 7, 5 1888 – 1936
021 – 030 2 11, 1 2070 – 2385
Emission of H217O & H2
18O
Statistics of the H218O observed transitions
Band Trans. Num. J, KaRegion (cm-1)
000 – 000 257 26, 17 333 – 841
010 – 000 798 25, 15 1137 – 2399
010 – 010 115 23, 12 322 – 801
020 – 010 545 23, 12 1157 – 2165
020 – 020 31 12, 9 324 – 509
020 – 100 1 7, 7 399.920
100 – 010 29 13, 10 1255 – 2124
100 – 100 16 12, 9 340 – 499
100 – 020 1 6, 4 353.427
001 – 010 49 18, 7 1830 – 2460
001 – 001 19 12, 11 332 – 492
030 – 020 234 19, 8 1179 – 2132
030 – 100 2 9, 9 1226 – 1268
110 – 100 27 18, 7 1275 – 2003
011 – 001 17 16, 6 1342 – 1966
011 – 020 6 10, 4 1987 – 2377
040 – 030 41 13, 5 1188 – 1863
Example of the line assignments near 1301.5 cm-1 (P=9.8 mbar, T=1570 K)
Emission of H217O & H2
18O
1300.5 1301.0 1301.5 1302.0 1302.5
0.0
0.6
1.2
1.8
2.4
2+ 3-
3 7 7
1 -
8 8
0
2 7 3
5 -
8 4
4
2 8 8
1 -
9 9
0
1+ 2-
1 7 6
1 -
8 7
2
42-3
2 8 0
8 -
9 1
9
2 15 0
15 -
15 1
14
22-
2 12 1
12 -
13 0
13
22-
2 12 0
12 -
13 1
13
Wavenumber / cm-1
22-
2 6 3
3 -
7 4
4
Emissivity (a.u.)
H2
17O
H2
18O
Stick-diagram of observed H216O, H2
17O, and H218O lines in the 1136 – 2500 cm-1
Emission of H217O & H2
18O
1200 1400 1600 1800 2000 2200 2400
0.00
0.01
0.02
0.03
0.04
0.05
0.06
0.07
0.08
0.09 Emissivity (a.u.)
1200 1400 1600 1800 2000 2200 2400
0.00
0.01
0.02
0.03
0.04
0.05
0.06
0.07
0.08
0.09
1200 1400 1600 1800 2000 2200 2400
0.00
0.01
0.02
0.03
0.04
0.05
0.06
0.07
0.08
0.09
Wavenumber / cm-1
Comparison of observations with calculated line positions
Emission of H217O & H2
18O
PS – calculated linelists for water molecules based on the results of
• H. Partridge and D.W. Schwenke, J. Chem. Phys. 106 (1997) 4618-4639
• D.W. Schwenke and H. Partridge, J. Chem. Phys. 113 (2000) 6592-6597
PS linelists for 9 isotopic species are available on the site
http://spectra.iao.ru
Differences between observed and calculated line positions
Emission of H217O & H2
18O
400 500 600 700 800
-0.15
-0.10
-0.05
0.00
0.05
0.10
0.15
cm-1
Obs-PS
(cm-1)
400 500 600 700 800
-0.15
-0.10
-0.05
0.00
0.05
0.10
0.15 Obs-PS
(cm-1)
cm-1
Differences between observed and calculated line positions
Emission of H217O & H2
18O
1200 1400 1600 1800 2000 2200 2400
-0.20
-0.15
-0.10
-0.05
0.00
0.05
0.10
0.15
0.20Obs-PS
(cm-1)
cm-1
1200 1400 1600 1800 2000 2200 2400
-0.20
-0.15
-0.10
-0.05
0.00
0.05
0.10
0.15
0.20
cm-1
Obs-PS
(cm-1)
CONCLUSION
Emission of H217O & H2
18O
• The high temperature infrared emission spectra of the H217O and
H218O have been recorded in laboratory conditions with high
resolution in the 322 – 860 and 1136 – 2500 cm-1 regions.
CONCLUSION
Emission of H217O & H2
18O
• The high temperature infrared emission spectra of the H217O and
H218O have been recorded in laboratory conditions with high
resolution in the 322 – 860 and 1136 – 2500 cm-1 regions.
• More than 4200 lines have been assigned to 35 rotation-vibration bands of two water species. Main part of these lines have been observed for the first time.
CONCLUSION
Emission of H217O & H2
18O
• The high temperature infrared emission spectra of the H217O and
H218O have been recorded in laboratory conditions with high
resolution in the 322 – 860 and 1136 – 2500 cm-1 regions.
• More than 4200 lines have been assigned to 35 rotation-vibration bands of two water species. Main part of these lines have been observed for the first time.
• 13 bands of H217O and 11 bands of H2
18O associated with lower vibrational states (020), (100), (001), (030), and (110) are reported for the first time.
CONCLUSION
Emission of H217O & H2
18O
• The high temperature infrared emission spectra of the H217O and
H218O have been recorded in laboratory conditions with high
resolution in the 322 – 860 and 1136 – 2500 cm-1 regions.
• More than 4200 lines have been assigned to 35 rotation-vibration bands of two water species. Main part of these lines have been observed for the first time.
• 13 bands of H217O and 11 bands of H2
18O associated with lower vibrational states (020), (100), (001), (030), and (110) are reported for the first time.
• Comparison of observed data with variational calculations of Partridge & Schwenke shows very good agreement for the line positions. Maximal discrepancies are within 0.2 cm-1.