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

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 /K Pressure /mbar Resolution / cm Scans Length of the Cell1 m Diameter of the Cell46 mm Length of Hot Zone50 cm DetectorGe:CuInSb Detector windowCsJKBrCaF2 Cell windowCsJKBrCaF2 Aperture spectrometer / mm Measurement range / cm

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 /K Pressure /mbar Resolution / cm Scans Length of the Cell1 m Diameter of the Cell46 mm Length of Hot Zone50 cm DetectorGe:CuInSb Detector windowCsJKBrCaF2 Cell windowCsJKBrCaF2 Aperture spectrometer / mm Measurement range / cm In addition, the emission spectrum of H 2 O/HDO/D 2 O mixture (T=1370, range: 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)

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

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 – – 2500 Totally Unassigned H 2 16 O H 2 17 O H 2 18 O HD 16 O 2260 D 2 16 O 854

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 – – 2500 Totally Unassigned H 2 16 O H 2 17 O H 2 18 O 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 O H 2 18 O

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 – , – – , – – , – – , – – , – – , – – , – – , 9339 – – , – , – – , – – , – – , – – , – – , – – , – – , – – , – – , – 2385

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 – , – – , – – , – – , – – , – – , – , – – , – – , – , – – , – – , – – , – – , – – , – – , – – , – 1863

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

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

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) D.W. Schwenke and H. Partridge, J. Chem. Phys. 113 (2000) PS linelists for 9 isotopic species are available on the site

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

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

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.

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.

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.

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.