1. Emission Spectra of H 2 17 O and H 2 18 O from 320 to 2500 cm -1 Semen MIKHAILENKO 1, Georg MELLAU 2, and Vladimir TYUTEREV 3 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

2. Laboratory measurement conditions for emission spectra of water enriched by oxygen-17 and by oxygen-18 Emission of H 2 17 O & H 2 18 O Filename MEH2ONMEH2OMMEH2OLZH2ODXMEH2OW Gas temperature /K1950 152015701950 Pressure /mbar14.016.01.09.818.0 Resolution / cm -1 0.0055 0.00360.00550.015 Scans120700 20160 Length of the Cell1 m Diameter of the Cell46 mm Length of Hot Zone50 cm DetectorGe:CuInSb Detector windowCsJKBrCaF2 Cell windowCsJKBrCaF2 Aperture spectrometer / mm3.15 2.0 Measurement range / cm -1 322-524 1136-17901655-4650

3. Laboratory measurement conditions for emission spectra of water enriched by oxygen-17 and by oxygen-18 Emission of H 2 17 O & H 2 18 O Filename MEH2ONMEH2OMMEH2OLZH2ODXMEH2OW Gas temperature /K1950 152015701950 Pressure /mbar14.016.01.09.818.0 Resolution / cm -1 0.0055 0.00360.00550.015 Scans120700 160 Length of the Cell1 m Diameter of the Cell46 mm Length of Hot Zone50 cm DetectorGe:CuInSb Detector windowCsJKBrCaF2 Cell windowCsJKBrCaF2 Aperture spectrometer / mm3.15 2.0 Measurement range / cm -1 322-524 1136-17901655-4650 In addition, the emission spectrum of H 2 O/HDO/D 2 O mixture (T=1370, range: 380-860 cm -1 ) was used. S.N. Mikhailenko, Vl.G. Tyuterev, G. Mellau, (000) and (010) states of H 2 18 O: Analysis of rotational transitions in hot emission spectrum in the 400 – 850 cm -1 region // J. Mol. Spectrosc. 217 (2003) 195-211

4. Overview of the emission spectrum in the 1650–2600 cm -1, P=18 mbar, T=1950K Emission of H 2 17 O & H 2 18 O

5. Statistics of observed water lines in the 322 – 860 and 1136 – 2500 cm -1 spectral regions Emission of H 2 17 O & H 2 18 O Spectral Region (cm -1 )322 – 8601136 – 2500 Totally1773811253 Unassigned 9836 1418 H 2 16 O 3958 6430 H 2 17 O 400 1704 H 2 18 O 430 1701 HD 16 O 2260 D 2 16 O 854

6. Statistics of observed water lines in the 322 – 860 and 1136 – 2500 cm -1 spectral regions Emission of H 2 17 O & H 2 18 O Spectral Region (cm -1 )322 – 8601136 – 2500 Totally1773811253 Unassigned 9836 1418 H 2 16 O 3958 6430 H 2 17 O 400 1704 H 2 18 O 430 1701 HD 16 O 2260 D 2 16 O 854 Previous studies on the H 2 17 O and H 2 18 O molecules (in absorption, room temperature) H 2 17 O1531015 H 2 18 O2071419

7. Statistics of the H 2 17 O observed transitions Emission of H 2 17 O & H 2 18 O BandTrans. Num.J, K a Region (cm -1 ) 000 – 00024027, 16325 – 827 010 – 00076829, 141153 – 2406 010 – 01010023, 11 324 – 624 020 – 01055926, 121150 – 2193 020 – 020 3012, 9 326 – 497 020 – 100 311, 10 426 – 505 100 – 010 2115, 101228 – 2452 100 – 100 1412, 9339 – 502 100 – 020 1 7, 4380.782 001 – 010 4918, 91832 – 2487 001 – 001 1712, 11 334 – 494 030 – 02024924, 91183 – 2136 110 – 100 2521, 81293 – 2090 110 – 020 615, 61801 – 2380 011 – 0011717, 71302 – 1996 011 – 0201416, 61896 – 2442 040 – 0303611, 51189 – 1899 120 – 110 2 7, 51888 – 1936 021 – 030 211, 12070 – 2385

8. Emission of H 2 17 O & H 2 18 O Statistics of the H 2 18 O observed transitions BandTrans. Num.J, K a Region (cm -1 ) 000 – 00025726, 17 333 – 841 010 – 00079825, 151137 – 2399 010 – 01011523, 12 322 – 801 020 – 01054523, 121157 – 2165 020 – 020 3112, 9 324 – 509 020 – 100 1 7, 7399.920 100 – 010 2913, 101255 – 2124 100 – 100 1612, 9 340 – 499 100 – 020 1 6, 4353.427 001 – 010 4918, 71830 – 2460 001 – 001 1912, 11 332 – 492 030 – 02023419, 81179 – 2132 030 – 100 2 9, 91226 – 1268 110 – 100 2718, 71275 – 2003 011 – 001 1716, 61342 – 1966 011 – 020 610, 41987 – 2377 040 – 030 4113, 51188 – 1863

9. Example of the line assignments near 1301.5 cm -1 (P=9.8 mbar, T=1570 K) Emission of H 2 17 O & H 2 18 O

10. Stick-diagram of observed H 2 16 O, H 2 17 O, and H 2 18 O lines in the 1136 – 2500 cm -1 Emission of H 2 17 O & H 2 18 O Wavenumber / cm -1

11. Comparison of observations with calculated line positions Emission of H 2 17 O & H 2 18 O 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

12. Differences between observed and calculated line positions Emission of H 2 17 O & H 2 18 O

13. Differences between observed and calculated line positions Emission of H 2 17 O & H 2 18 O

14. CONCLUSION Emission of H 2 17 O & H 2 18 O The high temperature infrared emission spectra of the H 2 17 O and H 2 18 O have been recorded in laboratory conditions with high resolution in the 322 – 860 and 1136 – 2500 cm -1 regions.

15. CONCLUSION Emission of H 2 17 O & H 2 18 O The high temperature infrared emission spectra of the H 2 17 O and H 2 18 O 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.

16. CONCLUSION Emission of H 2 17 O & H 2 18 O The high temperature infrared emission spectra of the H 2 17 O and H 2 18 O 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 H 2 17 O and 11 bands of H 2 18 O associated with lower vibrational states (020), (100), (001), (030), and (110) are reported for the first time.

17. CONCLUSION Emission of H 2 17 O & H 2 18 O The high temperature infrared emission spectra of the H 2 17 O and H 2 18 O 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 H 2 17 O and 11 bands of H 2 18 O 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.