Ozone spectroscopy in the electronic ground state: High-resolution spectra analyses and update of line parameters since 2003

Journal of Quantitative Spectroscopy and Radiative Transfer

Volumn 130, Issue , 2013, Pages 172-190

  Barbe, A ^a   Mikhailenko, S ^b   Starikova, E ^a,b   De Backer, M R ^a   Tyuterev, Vl G ^a   Mondelain, D ^c   Kassi, S ^c   Campargue, A ^c   Janssen, C ^a   Tashkun, S ^b   Kochanov, R ^a,b   Gamache, R ^d   Orphal, J ^e  

^a CNRS   (France)

^b V E ZUEV INSTITUTE OF ATMOSPHERIC OPTICS   (Russian Federation)

^c UNIV GRENOBLE ALPES   (France)

^d UNIVERSITY OF MASSACHUSETTS LOWELL   (United States)

^e KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

Line lists; Line parameters; Ozone

Indexed keywords

CAVITY RING-DOWN SPECTROSCOPY; CRITICAL DISCUSSIONS; ELECTRONIC GROUND STATE; EXPERIMENTAL PARAMETERS; FOURIER TRANSFORM SPECTRA; HIGH-RESOLUTION SPECTRA; LINE LISTS; LINE PARAMETERS;

ABSORPTION SPECTROSCOPY;

OZONE;

ATMOSPHERIC MODELING; ELECTRON DENSITY; FTIR SPECTROSCOPY; MOLECULAR ANALYSIS; OZONE; SPECTRAL ANALYSIS;

EID: 84885171583     PISSN: 00224073     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jqsrt.2013.06.007     Document Type: Article

References (146)

1. Mikhailenko S.N., Babikov Y.L., Tyuterev Vl.G., Barbe A. The databank of ozone spectroscopy on WEB: spectroscopy and molecular properties of ozone (S&MPO). Comput Technol 2002, 7:64-70. Updated at 〈http://smpo.univ-reims.fr〉, 〈http://smpo.iao.ru〉.
2. Boynard A., Clerbaux C., Coheur J.F., Hurtmans S., Turquety S., George M., et al. Measurements of total and tropospheric ozone from IASI: comparison with correlative satellatite, ground-based and ozonesonde observations. Atmos Chem Phys 2009, 9:6255-6271.
3. Cooper O., Stohl A., Trainer M., Thompson A.M., Witte J.C., Oltman J., et al. Large upper tropospheric ozone enhancements above midlatitude North America during summer: in situ evidence from the IONS and MOZAIC ozone measurement network. J Geophys Res 2006, 111:D24S05. 10.1029/2006JD007306.
4. 3 and CO observations in the upper and lower stratosphere. J Geophys Res 2008, 113:D15SO2. 10.1029/2007JD008805.
5. Bernath P.F., McElroy C.T., Abrams M.C., Boone C.D., Butler M., Camy-Peyret C., et al. Atmospheric Chemistry experiment (ACE): mission overview. Geophys Res Lett 2005, 32:L15S01. 10.1029/2005GL022386.
6. Flaud J.M., Orphal J. Spectroscopy of the Earth's atmosphere. Handbook of High-Resolution Spectroscopy 2011, 1971-1992. John Wiley & Sons, London. M. Quack, F. Merkt (Eds.).
7. Clerbaux C., Drummond J., Flaud J.M., Orphal J. Thermal infrared: absorption and emission-trace gases and parameters. The Remote Sensing of Tropospheric Composition From Space 2011, 123-152. Springer Verlag, Heidelberg and New York, (Chapter 3). J.P. Burrows, U. Platt, P. Borrell (Eds.).
8. Schinke R., Grebenshchikov S.Yu., Ivanov M.V., Fleurat-Lessard P. Dynamical studies of the ozone isotope effect: a status report. Annu Rev Phys Chem 2006, 57:625-661.
9. http://xeon.univ-reims.fr/ANRO3.
10. Rinsland C.P., Flaud J.M., Perrin A., Birk M., Wagner G., Goldman A., et al. Spectroscopic parameters for ozone and its isotopes: recent measurements, outstanding issues, and prospects for improvements to HITRAN. J Quant Spectrosc Radiat Transfer 2003, 82:207-218.
11. Rothman L.S., Gordon I.E., Barbe A., Benner D.C., Bernath P.F., Birk M., et al. The HITRAN 2008 molecular spectroscopic database. J Quant Spectrosc Radiat Transfer 2009, 110:533-572.
12. Rothman LS, Gordon IE, Babikov Y, Barbe A, Benner DC, Bernath PF, et al. The HITRAN 2012 molecular spectroscopic database. J Quant Spectrosc Radiat Transfer 2013 [in this issue].
13. Jacquinet-Husson N., Crepeau L., Armante R., Boutammine C., Chédin A., Scott N.A., et al. The 2009 edition of the GEISA spectroscopic database. J Quant Spectrosc Radiat Transfer 2011, 112:2395-2445.
14. Colmont J.M., Bakri B., Demaison J., Mader H., Willaert F., Tyuterev Vl.G., et al. Microwave Fourier transform, millimetrewave, and submillimetrewave spectra of ozone in its vibrational ground state. J Mol Spectrosc 2005, 233:293-296.
15. Herberth, D., Giesen, T. Universität zu Köln and Universität Kassel. Germany, private communication.
16. Barbe A., Plateaux J.J., Bouazza S., Flaud J.M., Camy-Peyret C. Spectral properties of ozone in the 5μm region. J Quant Spectrosc Radiat Transfer 1992, 48:599-610.
17. 3 in the 5μm region. J Mol Spectrosc 1991, 146:314-325.
18. 3D. J Quant Spectrosc Radiat Transfer 2001, 68:507-520.
19. Griggs M. Absorption coefficients of ozone in the ultraviolet and visible regions. J Chem Phys 1968, 49:857-859.
20. Watson J.K.G. Determination of centrifugal distortion coefficients of asymmetric molecules. J Chem Phys 1967, 46:1935-1949.
21. 3 fundamentals of ozone. J Chem Phys 1966, 44:1855-1861.
22. 16O. J Mol Spectrosc 1974, 51:142-150.
23. Flaud J.M., Camy-Peyret C., Rinsland C.P., Smith M.A., Malathy Devi V. Atlas of Ozone Spectral Parameters From Microwave to Medium Infrared 1990, Academic press, Boston, 600 pp.
24. Flaud J.M., Bacis R. The ozone molecule: infrared and microwave spectroscopy. Spectrochim Acta Pt A 1998, 54:3-16.
25. Camy-Peyret C., Flaud J.M. 1975, Etude vibrorotationnelle de la molécule H2O [Ph.D. thesis]. Université Pierre et Marie Curie.
26. Aliev M.R., Watson J.K.G. Higher-order effects in the vibration-rotation spectra of semirigid molecules. Molecular Spectroscopy: Modern Research 1985, vol. III:1-67. Academic Press, Orlando, Florida.
27. Camy-Peyret C., Flaud J.M. Vibration-rotation dipole moment operator for asymmetric rotors. Molecular Spectroscopy: Modern Research 1985, vol. III:69-110. Academic Press, Orlando, Florida.
28. Sulakshina O.N., Borkov Yu, Tyuterev Vl.G., Barbe A. Third-order derivatives of the dipole moment function for ozone molecule. J Chem Phys 2000, 113:10572-10582.
29. Mikhailenko S.N., Barbe A., Tyuterev Vl.G., Chichery A. High resolution IR spectra of the ozone molecule. Atmos Ocean Opt 1999, 12:771-785.
30. Perevalov V.I., Tyuterev Vl.G. Effective centrifugal Hamiltonian with empirically restorable parameters in case of Coriolis resonances in symmetric-top molecules. Opt Spectrosc 1982, 52:644-650.
31. Perevalov V.I., Tyuterev Vl.G. Model with uniquely determinable parameters for the simultaneous analysis of resonating vibrational states. Anharmonic resonances in asymmetric-top molecules. Sov Phys J 1982, 25:179-182.
32. Makushkin Yu.S., Tyuterev Vl.G. Perturbation methods and effective Hamiltonians in molecular spectroscopy 1984, Nauka, Novosibirsk, 240 pp (in Russian).
33. Tashkun S.A., Tyuterev Vl.G. GIP a program for experimental data reduction in molecular spectroscopy. SPIE Proc Ser 1994, 2205:188-191.
34. Chichery A 2000, Analyse des spectres infrarouges haute résolution des formes isotopiques de l'ozone. Application aux études atmosphériques [Ph.D. thesis)]. Université de Reims.
35. Barbe A., Chichery A., Cours T., Tyuterev Vl.G., Plateaux J.J. Update of the anharmonic force field of the ozone molecule. J Mol Struct 2002, 616:55-65.
36. Tyuterev Vl.G., Tashkun S.A., Schwenke D.W., Jensen J., Cours T., Barbe A., et al. Variational EKE-calculations of rovibrational energies of the ozone molecules from an empirical potential function. Chem Phys Lett 2000, 316:271-279.
37. Tyuterev Vl.G., Tashkun S.A., Jensen P., Barbe A., Cours T. Determination of the effective ground state potential energy function of ozone from high-resolution infrared spectra. J Mol Spectrosc 1999, 198:57-76.
38. Tyuterev Vl.G., Perevalov V.I. Generalized contact transformations for quasi-degenerate levels. Chem Phys Lett 1980, 74:494-502.
39. Tyuterev Vl.G., Tashkun S.A., Seghir H. High-order contact transformation: general algorithm, computer implementation and triatomic. SPIE Proc Ser 2004, 5311:164-175.
40. 3: line positions and intensities. J Mol Spectrosc 1996, 177:34-39.
41. 3 band. J Quant Spectrosc Radiat Transfer 1998, 59:185-194.
42. 3 bands. J Phys B: At Mol Opt Phys 1998, 31:2559-2569.
43. 3 bands. Mol Phys 1998, 94:751-757.
44. 3: line positions and intensities. J Mol Spectrosc 1998, 192:102-110.
45. 1 bands of ozone. J Mol Spectrosc 1980, 80:185-199.
46. 1 bands of ozone. J Mol Spectrosc 1988, 130:204-212.
47. -1. J Quant Spectrosc Radiat Transfer 1994, 52:341-355.
48. Tyuterev, Vl.G., Barbe, A., Mikhailenko, S., Starikova, E, De Backer, M.R. University of Reims, Reims, France and V.E. Zuev Institute of Atmospheric Optics SB RAS, Tomsk, Russia, unpublished data.
49. 2 bands of ozone. Spectrochim Acta Pt A 1998, 54:1935-1945.
50. 3 lines around 5μm in high-resolution TFIR solar spectra. J Quant Spectrosc Radiat Transfer 2005, 96:241-250.
51. -1 region. Appl Opt 2008, 47:4612-4618.
52. 3. J Mol Spectrosc 1994, 166:365-371.
53. -1 regions. First example of new theoretical modelling for a polyad of strongly coupled states. J Quant Spectrosc Radiat Transfer 2012, 113:829-839.
54. Tyuterev Vl.G., Tashkun S.A., Schwenke D.W., Barbe A. Variational calculations of high-J rovibrational states of the ozone molecule from empirically determined isotopically invariant potential energy surface. SPIE Proc Ser 2004, 5311:176-184.
55. Perrin A., Vasserot A.M., Flaud J.M., Camy-Peyret C., Malathy Devi V., Smith M.A.H., et al. The 2.5-μm bands of ozone: line positions and intensities. J Mol Spectrosc 1991, 149:519-529.
56. 3 band of ozone: line positions and intensities. J Quant Spectrosc Radiat Transfer 1996, 55:449-455.
57. 3. J Mol Spectrosc 1995, 171:86-90.
58. Barbe, A., Mikhailenko, S. University of Reims, Reims, France, and V.E. Zuev Institute of Atmospheric Optics SB RAS, Tomsk, Russia, unpublished data.
59. 18O. Mol Phys 2002, 100:3499-3506.
60. 3: problem of consistency between cold and hot band intensities. Mol Phys 2004, 102:1707-1716.
61. Janssen C., Tuzson B. A diode laser spectrometer for symmetry selective detection of ozone isotopomers. Appl Phys B 2006, 82:487-494.
62. Toon, G. Jet Propulsion Laboratory. Pasadena, CA, private communication.
63. 16O: line positions and intensities. J Mol Spectrosc 1986, 118:334-344.
64. 18O: line positions and intensities. J Mol Spectrosc 1986, 118:345-354.
65. -1: line positions. J Mol Spectrosc 2002, 216:454-464.
66. 16O in the 5μm range. Positions, intensities, and atmospheric applications. Atmos Ocean Opt 2003, 16:183-188.
67. -1: line positions. J Mol Spectrosc 2003, 221:174-185.
68. 18O. Appl Opt 2003, 42:5136-5139.
69. 18O). J Geophys Res: Atmos 2005, 110:D08308. 10.1029/2004JD005479.
70. 18O ozone isotopes in high resolution ground-based FTIR spectra. J Quant Spectrosc Radiat Transfer 1994, 52:267-271.
71. Goldman A., Schoenfeld W.G., Stephen F., Murcray J., Rinsland C.P., Barbe A., et al. Isotopic ozone in the 5μ region from high resolution balloon-borne and ground-based FTIR solar spectra. J Quant Spectrosc Radiat Transfer 1998, 59:231-244.
72. 16O. J Mol Spectrosc 2001, 2005:347-349.
73. Barbe, A., De Backer-Barilly, M.-R., 2007. University of Reims. Reims, France, unpublished data.
74. 17O. Line positions and intensities. J Mol Spectrosc 1993, 157:524-531.
75. 17O isotopomer of ozone. J Mol Spectrosc 2000, 200:248-252.
76. 16O line positions and intensities. J Mol Spectrosc 1992, 156:210-216.
77. 17O isotopomers of ozone. J Mol Spectrosc 2001, 207:54-59.
78. 3 isotopic species of ozone. J Mol Spectrosc 1994, 168:92-98.
79. 17O containing ozone isotopomers for symmetry selective detection. Isotopes Environ Health Stud 2006, 42:67-75.
80. Holka F., Szalay P.G., Muller Th., Tyuterev Vl.G. Toward an improved ground state potential energy surface of ozone. J Phys Chem A 2010, 114:9927-9935.
81. Wenz H., Demtröder W., Flaud J.M. Highly sensitive absorption spectroscopy of the ozone molecule around 1.5μm. J Mol Spectrosc 2001, 209:267-277.
82. -1 sensitivity. J Chem Phys 2012, 137:234201-234206.
83. 3 bands. J Mol Struct 2006, 780-781:225-233.
84. -1 region. J Mol Spectrosc 2006, 240:1-13.
85. -1 region. J Mol Spectrosc 2007, 242:156-175.
86. Morville J., Romanini D., Kachanov A.A., Chenevier M. Two schemes for trace detection using cavity ringdown spectroscopy. Appl Phys 2004, 78:465-476.
87. 2(000)-X(110) hot band superimposed to very weak vibrational bands. Chem Phys Lett 2011, 510:191-196.
88. -1. J Quant Spectrosc Radiat Transfer 2012, 113:840-849.
89. -1 region. J Quant Spectrosc Radiat Transfer 2013, 116:49-66.
90. -1. Phys Chem Chem Phys 2012, 14:802-815.
91. -1. J Chem Phys 2012, 136:184309-184318.
92. -1. J Mol Spectrosc 2007, 244:122-129.
93. -1 region. J.Mol Spectrosc 2007, 246:22-38.
94. -1: new observations and exhaustive review. Phys Chem Chem Phys 2008, 10:2925-2946.
95. -1. J Mol Spectrosc 2011, 269:175-186.
96. -1. J Mol Spectrosc 2012, 272:43-50.
97. -1 spectral region. J Mol Spectrosc 2009, 255:75-87.
98. -1. J Mol Spectrosc 2009, 255:144-156.
99. 3 main isopotologue. J Mol Spectrosc 2009, 257:40-56.
100. -1. J Quant Spectrosc Radiat Transfer 2012, 113:1741-1752.
101. Tyuterev, Vl.G., Kochanov, R.V., Tashkun, S.A., 2012. Analytical representation for accurate potential energy function of the ozone molecule and extended vibration calculations. In: Proceedings of the XVII International Symposium HighRus-2012. Publishing House of IAO SB RAS 2012, pp 29-50. , http://symp.iao.ru/en/hrms/17/proceedings.
102. -1 range. Chem Phys Lett 2009, 470:28-34.
103. 16O. J Quant Spectrosc Radiat Transfer 2013, 119:104-113.
104. 18O. J Quant Spectrosc Radiat Transfer 2013, http://dx.doi.org/10.1016/j.jqsrt.2013.04.005, in press.
105. Dubernet M.L., Boudon V., Culhane J.L., Dimitrijevic M.S., Fazliez A.Z., Joblin C., et al. Virtual atomic and molecular data centre (VAMDC). J Quant Spectrosc Radiat Transfer 2012, 111:2151-2159.
106. -1. J Mol Spectrosc 2001, 206:14-26.
107. 3 band of ozone: line positions and intensities. J Mol Spectrosc 1993, 162:335-341.
108. -1 region of ozone: interactions between (122) and (023) states. SPIE Proc Ser 2006, 6580:658004-658011.
109. De Backer, M.R., 2005. Spectres infrarouges haute résolution de l'ozone:analyses en position et intensité. Application aux études atmosphériques. Habilitation à Diriger des Recherches. Université de Reims.
110. 3 lines in the 9-11μm region. J Geophys Res 2001, 106:9909-9921.
111. 3. J Mol Spectrosc 2001, 206:115-125.
112. 3. J Mol Spectrosc 2001, 205:43-53.
113. Wagner G., Birk M., Schreir F., Flaud J.M. Spectroscopic database of ozone in the fundamental spectral regions. J Geophys Res 2002, 107(D22):4626. 10.1029/2001JD000818.
114. Flaud J.M., Wagner G., Birk M., Camy-Peyret C., Claveau C., De Backer-Barilly M.R., et al. Ozone absorption around 10μm. J Geophys Res 2003, 108(D9):4269. 10.1029/2002JD002755.
115. Rothman L.S., Jacquemart D., Barbe A., Benner D.C., Birk M., Brown L.R., et al. The HITRAN 2004 molecular spectroscopic database. J Quant Spectrosc Radiat Transfer 2005, 96:139-204.
116. Picquet-Varrault B., Orphal J., Doussin J.F., Carlier P., Flaud J.M. Laboratory intercomparison of the ozone absorption coefficients in the mid-infrared (μm) and ultraviolet (300-350nm) spectral regions. J Phys Chem A 2005, 109:1008-1014.
117. Gratien A., Picquet-Varrault B., Orphal J., Doussin J.F., Flaud J.M. New laboratory intercomparison of the ozone absorption coefficients in the mid-infrared (10μm) and ultraviolet (300-350nm) spectral regions. J Phys Chem A 2010, 114:10045-10048.
118. 3 total column with data from two different IASI algorithms and from OMI and GOME-2 satellite instruments. Atmos Meas Tech 2011, 4:535-546.
119. 3 monitoring techniques. Atmos Chem Phys 2008, 8:5535-5550.
120. Thomas X., Von Der Heyden P., De Backer-Barilly M.R., Bourgeois M.T., Barbe A. Infrared absolute intensities of ozone in the 10 and 5μm spectral range: new investigations. J Quant Spectrosc Radiat Transfer 2010, 111:1080-1088.
121. Smith M.A.H., Malathy Devi V., Benner D.C. The quest for ozone intensities in the 9-11mm region: a retrospective. J Quant Spectrosc Radiat Transfer 2012, 113:825-828.
122. Dufour D.G., Drummond J.R., McElroy C.T., Midwinter C., Bernath P.F., Walker K.A., et al. Intercomparison of simultaneously obtained infrared (4.8μm) and visible (515-715nm) ozone spectra using ACE-FTS and MAESTRO. J Phys Chem A 2005, 109:8760-8764.
123. Walker, K.A., Boone, C., Skelton, R., McLeod, S.D., Bernath, P.F., Randall, C.E., et al., 2007. Recent validation results for the atmospheric chemistry experiment (ACE). In: Presented at the ENVISAT Symposium, April 2007. Montreux (Switzerland).
124. Janssen C., Simone D., Guinet M. Preparation and accurate measurement of pure ozone. Rev Sci Instrum 2011, 82:34102-34112.
125. Brenninkmeijer C.A.M., Janssen C., Kaiser J., Röckmann T., Rhee T., Assonov T. Isotope effects in the chemistry of atmospheric trace compounds. Chem Rev 2003, 103:5125-5162.
126. 18O isotopic fractionation in stratospheric ozone. Geophys Res Lett 2005, 32:L22808. 10.1029/2005GL024049.
127. Mauersberger K. Measurement of heavy ozone in the stratosphere. Geophys Res Lett 1981, 8:935-937.
128. Wugt Larsen R., Nicolaisen F.M., Sørensen G.O. Determination of self-, air-, and oxygen-broadening coefficients of pure rotational absorption lines of ozone and of their temperature dependencies. J Mol Spectrosc 2001, 210:259-270.
129. 2 band and their temperature dependence. J Mol Spectrosc 1997, 182:221-238.
130. 3. J Quant Spectrosc Radiat Transfer 2005, 95:221-230.
131. Colmont J.M., Bakri B., Rohart F., Wlodarczak G., Demaison J., Cazzoli G., et al. Intercomparison between ozone-broadening parameters retrieved from millimetre-wave measurements by using different techniques. J Mol Spectrosc 2005, 231:171-187.
132. 2. J Mol Spectrosc 2008, 251:282-292.
133. Smith, M.A.H., Malathy Devi, V., Benner, D.C., 2012. Temperature-dependences of air-broadening and shift parameters in the ν3 band of ozone. In: Proceedings of the 11th ASA Conference. Reims, France.
134. Gamache R.R., Arié E., Boursier C., Hartmann J.M. A review of pressure-broadening and pressure-shifting of spectral lines of ozone. Spectrochim Acta Pt A 1998, 54:35-63.
135. Buldyreva J., Lavrentieva N. Nitrogen and oxygen broadening of ozone infrared lines in the 5μm region: theoretical predictions by semiclassical and semiempirical methods. Mol Phys 2009, 107:1527-1536.
136. Buldyreva J.V., Mishina T.P., Lavrent'eva N.N., Osipova A.S. Calculation of coefficients of collisional broadening of ozone spectral lines induced by pressure of atmospheric gases. Opt Spectrosc 2010, 108:512-522.
137. Robert D., Bonamy J. Short range force effects in semiclassical molecular line broadening calculations. J Phys France 1979, 40:923-943.
138. 2 pressure. Mol Phys 2009, 107:2045-2051.
139. 3 lines in the 3-μm region. J Mol Spectrosc 1994, 164:239-259.
140. Starikov V.I. Calculation and analytical representation of self pressure and air pressure broadening coefficients of ozone spectral lines. Opt Spectrosc 2011, 110:340-350.
141. 3 rotational transitions in air. J Quant Spectrosc Radiat Transfer 2004, 83:63-81.
142. 2. J Chem Phys 1996, 105:5711-5721.
143. 2O lines. Mol Phys 2010, 108:2225-2252.
144. 16O and comparison with measurements. J Quant Spectrosc Radiat Transfer 2012, 113:951-960.
145. 2. J Quant Spectrosc Radiat Transfer 2012, 113:976-990.
146. 2 and air. J Quant Spectrosc Radiat Transfer 2012, 113:991-1003.