An upper limit for water dimer absorption in the 750 nm spectral region and a revised water line list

Atmospheric Chemistry and Physics

Volumn 11, Issue 9, 2011, Pages 4273-4287

  Shillings, A J L ^a   Ball, S M ^b   Barber, M J ^c   Tennyson, J ^c   Jones, R L ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSITY OF LEICESTER   (United Kingdom)

^c UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; ATMOSPHERIC CHEMISTRY; CHEMICAL BONDING; CLIMATE CHANGE; CLIMATE FEEDBACK; CONCENTRATION (COMPOSITION); EXPERIMENTAL STUDY; SOLAR RADIATION; SPECTRAL ANALYSIS; WATER;

EID: 79955910644     PISSN: 16807316     EISSN: 16807324     Source Type: Journal    
DOI: 10.5194/acp-11-4273-2011     Document Type: Article

References (54)

1. Aldener, M., Brown, S. S., Stark, H., Daniel, J. S., and Ravis-hankara, A. R.: Near-IR absorption ofwater vapour: pressure dependence of line strengths and an upper limit for continuum absorption, J. Molec. Spectrosc., 232, 223-230, 2005. (Pubitemid 40952710)
2. Ball, S. M. and Jones, R. L.; Broad-band cavity ring-down spec-troscopy, Chem. Rev., 103, 5239-5262, doi:10.1021/cr020523k, 2003.
3. Ball, S. M. and Jones, R. L.: Broadband cavity ring-down spec-troscopy in "Cavity ring-down spectroscopy: techniques and ap-plications", edited by: Berden, G. and Engeln, Blackwell Pub-lishing Ltd, Chichester, West Sussex, UK, 57-88, 2009.
4. Barber, R. J., Tennyson, J., Harris, G. J., and Tolchenov, R. N.: A high-accuracy computed water line list, Mon. Not. R. Astron. Soc., 368, 1087-1094, 2006. (Pubitemid 43701756)
5. Bitter, M., Ball, S. M., Povey, I. M., and Jones, R. L.: A broad-band cavity ringdown spectrometer for in-situ measurements of atmospheric trace gases, Atmos. Chem. Phys., 5, 2547-2560, doi:10.5194/acp-5-2547-2005, 2005. (Pubitemid 41479786)
6. Bouteiller, Y. and Perchard, J. P.; The vibrational spectrum of (H2O)2: comparison between anharmonic ab intio calculations and neon matrix infrared data between 9000 and 90 cm, Chem. Phys., 305, 1-12, 2004.
7. Campargue, A., Mikhailenko, S., and Liu, A. W.; ICLAS of wa-ter in the 770 nm transparency window (12, 746-13, 558 cm). Comparison with current experimental and calculated databases, J. Quant. Spectrosc. Radiat. Transf, 109, 2832-2845, 2008.
8. Casanova, S. E. B., Shine, K. P., Gardiner, T., Coleman, M. and Pegrum, H.; Assessment of the consistency ofnear-infrared wa-ter vapor line intensities using high-spectral-resolution ground-based Fourier transform measurements ofsolar radiation, J. Geo-phys. Res. Atmos., 111, D11302, doi:10.1029/ 2005JD006583, 2006. (Pubitemid 44137681)
9. Cormier, J. G., Hodges, J. T., and Drummond, J. R.: Infrared wa-ter vapour continuum absorption at atmospheric temperatures, J. Chem. Phys., 122, 114309, doi:10.1063/1.1862623, 2005. (Pubitemid 40661758)
10. 2Omolecule: Line position and line intensity analyses up to the second triad, J. Mol. Spectrosc., 251, 339-357, 2008.
11. Curtiss, L. A., Frurip, D. J., and Blander, M.: Studies ofmolecular association in H2O and D2O vapors by measurement ofthermal conductivity, J. Chem. Phys., 71, 2703-2711, 1979.
12. Chýlek, P. and Geldart, D. J. W.: Water vapor dimers and atmo-spheric absorption of electromagnetic radiation, Geophys. Res. Lett., 24(16), 2015-2018, 1997. (Pubitemid 127686168)
13. Daniel, J. S., Solomon, S., Sanders, R. W., Portmann, R. W., Miller, D. C., and Madsen, W.: Implications for water monomer and dimer solar absorption from observations at Boulder, Colorado, J. Geophys. Res. Atmos., 104, 16785-16791, 1999.
14. Fellers, R.S., Leforestier, C., Braly, L. B., Brown, M. G., and Saykally, R. J.: Spectroscopic determination of the water pair potential, Science, 284, 945-948, 1999. (Pubitemid 29288429)
15. Garden, A. L., Halonen, L., and Kjaergaard, H. G.; Calculated band profiles of the OH-stretching transitions in water dimer, J. Phys. Chem. A, 112, 7439-7447, doi:10.1021/jp802001g, 2008.
16. Goldman, N., Leforestier, C., and Saykally, R. J.: Water dimers in the atmosphere II: Results from the VRT(ASP-W)III potential surface, J. Phys. Chem. A, 108, 787-794, doi:10.1021/jp035360y, 2004.
17. Harvey, A. H. and Lemmon, E. W.: Correlation for the second virial coefficient of water, J. Phys. Chem. Ref. Data, 33, 369-376, doi:10.1063/1.1587731, 2004. (Pubitemid 38491941)
18. Hill, C. and Jones, R. L.; Absorption of solar radiation by water vapor in clear and cloudy skies: Implications for anomalous absorption, J. Geophys. Res. (Atmos.), 105, 9421-9428, 2000.
19. Howard, D. L. and Kjaergaard, H. G.; Influence of intramolecular hydrogen bond strength on OH-stretching overtones, J. Phys. Chem.A, 110, 10245-10250, doi:10.1021/jp063631, 2006. (Pubitemid 44412371)
20. Huisken, F., Kaloudis, M., and Kulcke, A.; Infrared spectroscopy ofsmall size-selected water clusters, J. Chem. Phys. 104, 17-25, 1996. (Pubitemid 126748294)
21. Ishiuchi, S., Fujii, M., Robinson, T. W., Miller, B. J., and Kjaergaard, H. G.; Vibrational overtone spectroscopy of phenol and its deuterated isotopomers, J. Phys. Chem. A, 110, 7345-7354, doi:10.1021/jp060723q, 2006. (Pubitemid 43999536)
22. Jenouvrier, A., Daumont, L., Regalia-Jarlot, L., Tyuterev, V. G., Carleer, M., Vandaele, A. C., Mikhailenko, S., and Fally, S.: Fourier transform measurements of water vapor line parameters in the 4200-6600cm~ region, J. Quant. Spectrosc. Radiat. Transf, 105, 326-355, 2007. (Pubitemid 46296658)
23. Kassi, S., Macko, P., Naumenko, O., and Campargue, A.: The absorption spectrum ofwater near 750 nm by CW-CRDS: contribution to the search ofwater dimer absorption, Phys. Chem. Chem. Phys., 7, 2460-2467, 2005. (Pubitemid 40937537)
24. Kjaergaard, H. G., Garden, A. L., Chaban, G. M., Gerber, R. B., Matthews, D. A., and Stanton, J. F.: Calculation ofvibrational transition frequencies and intensities in water dimer: comparison of different vibrational approaches, J. Phys. Chem. A, 112, 4324-4335, doi:10.1021/jp710066f, 2008. (Pubitemid 351704628)
25. Kuyanov-Prozument, K., Choi, M. Y., and Vilesov, A. F.; Spectrum and infrared intensities of OH-stretching bands ofwater dimers, J. Chem. Phys., 132, 014304, doi:10.1063/1.3276459, 2010.
26. Learner, R. C. M., Zhong, W., Haigh, J. D., Belmiloud, D., and Clarke, J.: The contribution ofunknown weak water vapor lines to the absorption of solar radiation, Geophys. Res. Lett., 26, 3609-3612, 1999. (Pubitemid 30168307)
27. Lotter, A.: Field measurements ofwater continuum and water dimer absorption by active long path differential optical absorption spectroscopy (DOAS), PhD thesis, Department ofPhysics, University ofHeidelberg, Germany, 2006.
28. Low, G. R., and Kjaergaard, H. G.: Calculation of OH-stretching band intensities of the water dimer and trimer, J. Chem. Phys., 110, 9104-9115, 1999.
29. Mikhailenko, S. N., Le, W., Kassi, S., and Campargue, A.: Weak water absorption lines around 1.455 and 1.66 μ m by CW-CRDS, J. Mol. Spectrosc., 244/2, 170-178, 2007. (Pubitemid 47259084)
30. Mikhailenko, S. N., Albert, K. A. K., Mellau, G., Klee, S., Winnewisser, B. P., Winnewisser, M., and Tyuterev, V. G.: Water vapor absorption line intensities in the 1900-6600 cm~ region, J. Quant. Spectrosc. Radiat. Transf, 109, 2687-2696, 2008.
31. Munoz-Caro, C., and Nino, A.: Effect ofanharmonicities on the thermodynamic properties of the water dimer, J. Phys. Chem. A, 101, 4128-4135, 1997. (Pubitemid 127578104)
32. OH = 2 manifold: infrared-ultraviolet vibrationally mediated dissociation studies, J. Chem. Phys., 122, 194316, doi:10.1063/1.1899157, 2005. (Pubitemid 40914322)
33. Odutola, J. A. and Dyke, T. R.: Partially deuterated water dimers-microwave spectra and structure, J. Chem. Phys., 72, 5062-5070, 1980.
34. Paul, J. B., Collier, C. P., Saykally, R. J., Scherer, J. J., and O'Keefe, A.: Direct measurement ofwater cluster concentrations by in-frared cavity ringdown laser absorption spectroscopy, J. Phys. Chem. A, 101, 5211-5214, 1997. (Pubitemid 127580932)
35. Paul, J. B., Provencal, R. A., and Saykally, R. J.; Characterisation of the (D2O)2 hydrogen-bond-acceptor antisymmetric stretch by IR cavity ringdown laser absorption spectroscopy, J. Phys. Chem. A, 102, 3279-3283, 1998. (Pubitemid 128578046)
36. Paynter, D. J.: Measurements and interpretations of the water vapour continuum at near infrared wavelengths, PhD thesis, De-partment ofMeteorology, University of Reading, UK, 2008.
37. Paynter, D. J., Ptashnik, I. V., Shine, K. P., and Smith, K. M.: Pure water vapor continuum measurements between 3100 and 4400cm Evidence for water dimer absorption in near at-mospheric conditions, Geophys. Res. Lett., 34(12), L12808, doi:10.1029/2007GL029259, 2007. (Pubitemid 351193226)
38. Paynter, D. J., Ptashnik, I. V., Shine, K. P., Smith, K. M., McPheat, R., and Williams, R. G.: Laboratory measurements of the wa-ter vapor continuum in the 1200-8000cm region between 293K and 351K, J. Geophys. Res. (Atmos.), 114, D21301, doi:10.1029/2008JD011355, 2009.
39. Pfeilsticker, K., Lotter, A., Peters, C., and Bösch, H.: Atmospheric detection ofwater dimers via near-infrared absorption, Science, 300, 2078-2080, 2003. (Pubitemid 36760130)
40. Platt, U.; Modern methods of the measurement ofatmospheric trace gases, Phys. Chem. Chem. Phys., 1, 5409-5415, 1999.
41. Ptashnik, I. V.: Evidence for the contribution ofwater dimers to the near-IR water vapour self-continuum, J. Quant. Spectrosc. Radiat. Transf, 109, 831-852, 2008. (Pubitemid 350082456)
42. Ptashnik, I. V., Smith, K. M., Shine, K. P., and Newnham, D. A.; Laboratory measurements of water vapour continuum ab-sorption in spectral region 5000-5600cm~ Evidence for water dimers, Q. J. Roy. Meteorol. Soc., 130, 2391-2408, doi:10.1256/qj.03.178, 2004. (Pubitemid 39483715)
43. Ptashnik, I. V., Shine, K. P., and Vigasin, A. A.: Water vapour self-contiuum and water dimers: 1. Analysis ofrecent work, J. Quant. Spectrosc. Radiat. Transf, doi:10.1016/j.jqsrt.2011.01.012, in press, 2011.
44. Rothman, L. S., Gordon, I. E., Barbe, A., Benner, D. C., Bernath, P. E., Birk, M., Boudon, V., Brown, L. R., Campargue, A., Champion, J. P., Chance, K., Coudert, L. H., Dana, V., Devi, V. M., Fally, S., Flaud, J. M., Gamache, R. R., Goldman, A., Jacquemart, D., Kleiner, I., Lacome, N., Lafferty, W. J., Mandin, J. Y., Massie, S. T., Mikhailenko, S. N., Miller, C. E., Moazzen-Ahmadi, N., Naumenko, O. V., Nikitin, A. V., Or-phal, J., Perevalov, V. I., Perrin, A., Predoi-Cross, A., Rinsland, C. P., Rotger, M., Simeckova, M., Smith, M. A. H., Sung, K., Tashkun, S. A., Tennyson, J., Toth, R. A., Vandaele, A. C., and Vander Auwera, J.: The HITRAN 2008 molecular spectroscopic database, J. Quant. Spectrosc. Radiat. Transf, 110, 533-572, doi:10.1016/j.jqsrt.2009.02.013, 2009.
45. Schofield, D. P. and Kjaergaard, H. G.: Calculated OH-stretching and HOH-bending vibrational transitions in the water dimer, Phys. Chem. Chem. Phys., 5, 3100-3105, doi:10.1039/b304952c, 2003.
46. Schofield, D. P., Lane, J. R., and Kjaergaard, H. G.; Hydrogen bonded OH-stretching vibration in the water dimer, J. Phys. Chem. A, 111, 567-572, doi:10.1021/jp063512u, 2007.
47. Scribano, Y., Goldman, N., Saykally, R. J., and Leforestier, C.: Water dimers in the atmosphere III: Equilibrium constant from a flexible potential, J. Phys. Chem. A, 110, 5411-5419, doi:10.1021/jp056759k, 2006.
48. Sierk, B., Solomon, S., Daniel, J. S., Portmann, R. W., Gutman, S. I., Langford, A. O., Eubank, C. S., Dutton, E. G., and Holub, K. H.: Field measurements ofwater vapour continuum absorption in the visible and near-infrared, J. Geophys. Res. Atmos., 109, D08307, doi:10.1029/2003JD003586, 2004. (Pubitemid 38893017)
49. Suhm, M. A.: How broad are water dimer bands?, Science, 304, 823-823, 2004.
50. Tennyson, J., Zobov, N. F., Williamson, R., Polyansky O. L., and Bernath, P. F.; Experimental energy levels of the water molecule, J. Phys. Chem. Ref. Data, 30, 735-831, 2001. (Pubitemid 33405914)
51. Tolchenov, R. and Tennyson J.: Water line parameters from refitted spectra constrained by empirical upper state levels: study of the 9500-14500cm region, Quant. Spectrosc. Radiat Transf, 109, 559-568, 2008. (Pubitemid 350082446)
52. Vigasin, A. A.: Water vapor continuous absorption in various mixtures: possible role ofweakly bound complexes, J. Quant. Spectrosc. Radiat Transf., 64, 25-40, 2000.
53. Voronin, B. A., Lavrentieva, N. N., Mishina, T. P., Chesnokova, T. Yu., Barber, M. J., and Tennyson, J.: Estimate of the J' J" dependence of water vapor line broadening parameters, J. Quant. Spectrosc. Radiat. Transf., 111, 2308-2314, doi:10.1016/j.jqsrt.2010.05.015, 2010.
54. Zhong, W., Haigh, J. D., Belmiloud, D., Schermaul R., and Tennyson, J.: The impact of new water vapour spectral line parameters on the calculation of atmospheric absorption, Q. J. Roy. Meteorol. Soc., 127, 1615-1626, 2001. (Pubitemid 32752877)