The OH-stretching and OOH-bending overtone spectrum of HOONO

Journal of Chemical Physics

Volumn 123, Issue 13, 2005, Pages

  Schofield, Daniel P ^a   Kjaergaard, Henrik G ^a   Matthews, Jamie ^b   Sinha, Amitabha ^b  

^a UNIVERSITY OF OTAGO   (New Zealand)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIPOLE MOMENTS; LOCAL MODE PARAMETERS; OVERTONE REGIONS; SPECTRUM RECORDING;

COMPUTER SIMULATION; HAMILTONIANS; PARAMETER ESTIMATION; POTENTIAL ENERGY; SPECTRUM ANALYSIS;

HYDROGEN INORGANIC COMPOUNDS;

EID: 26444583338     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2047574     Document Type: Article

References (33)

1. P. Warneck, Chemistry of the Natural Atmosphere (Academic, San Diego, 2000).
2. W.-J. Lo and Y. P. Lee, J. Chem. Phys. 101, 5494 (1994).
3. I. M. Konen, I. B. Pollack, E. X. J. Li, M. I. Lester, M. E. Varner, and J. F. Stanton, J. Chem. Phys. 122, 094320 (2005).
4. I. B. Pollack, I. M. Konen, E. X. J. Li, and M. I. Lester, J. Chem. Phys. 119, 9981 (2003).
5. B. D. Bean, A. K. Mollner, S. A. Nizkorodov, G. Nair, M. Okumura, S. P. Sander, K. A. Peterson, and J. S. Francisco, J. Phys. Chem. A 107, 6974 (2003).
6. J. L. Fry, S. A. Nizkorodov, M. Okumura, C. M. Roehl, J. S. Francisco, and P. O. Wennberg, J. Chem. Phys. 121, 1432 (2004).
7. J. Matthews and A. Sinha, J. Chem. Phys. 122, 104313 (2005).
8. J. Matthews, A. Sinha, and J. S. Francisco, J. Chem. Phys. 120, 10543 (2004).
9. S. A. Nizkorodov and P. O. Wennberg, J. Phys. Chem. A 106, 855 (2002).
10. D. P. Schofield and H. G. Kjaergaard, J. Phys. Chem. A 109, 1810 (2005).
11. A. B. McCoy, J. L. Fry, J. S. Francisco, A. K. Mollner, and M. Okumura, J. Chem. Phys. 122, 104311 (2005).
12. Z. Rong and H. G. Kjaergaard, J. Phys. Chem. A 106, 6242 (2002).
13. Z. Rong, D. L. Howard, and H. G. Kjaergaard, J. Phys. Chem. A 107, 4607 (2003).
14. D. Cavagnat and L. Lespade, J. Chem. Phys. 114, 6030 (2001).
15. C. Zhu, H. G. Kjaergaard, and B. R. Henry, J. Chem. Phys. 107, 691 (1997).
16. D. Hadži, Theoretical Treatments of Hydrogen Bonding (Wiley, Chichester, 1997).
17. H. G. Kjaergaard, T. W. Robinson, D. P. Schofield, and D. L. Howard (unpublished).
18. G. Herzberg, Molecular Spectra and Molecular Structure I. Spectra of Diatomic Molecules (D. Van Nostrand Company, Inc., Princeton, NJ, 1950).
19. E. B. Wilson, Jr., J. C. Decius, and P. C. Cross, Molecular Vibrations (Dover, New York, 1980).
20. See EPAPS Document No. E-JCPSA6-123-005536 for the potential-energy and dipole surfaces, the optimized structure, harmonic frequencies, calculated overtone intensities, morse and polynomial fits to hydroxyl radical potential energy curve. This document can be reached via a direct link in the online article's HTML reference section or via the EPAPS homepage (http://WWW.aip.org/ pubservs/epaps.html).
21. H. G. Kjaergaard, B. R. Henry, H. Wei, S. Lefebvre, T. Carrington, Jr., O. S. Mortensen, and M. L. Sage, J. Chem. Phys. 100, 6228 (1994).
22. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, revision c.02, 2004.
23. R. D. Amos, A. Bernhardsson, A. Berning, MOLPRO, a package of ab initio programs designed by H.-J. Werner and P. J. Knowles, version 2002.1, 2002.
24. G. Dutton, R. J. Barnes, and A. Sinha, J. Chem. Phys. 111, 4976 (1999).
25. L. S. Rothman, A. Barbe, D. C. Benner, J. Quant. Spectrosc. Radiat. Transf. 82, 5 (2003).
26. B. J. Drouin, J. L. Fry, and C. E. Miller, J. Chem. Phys. 120, 5505 (2004).
27. J. A. Coxon and S. C. Foster, Can. J. Phys. 60, 41 (1982).
28. F. Pawłowski, A. Halkier, P. Jørgensen, K. L. Bak, T. Helgaker, and W. Klopper, J. Chem. Phys. 118, 2539 (2003).
29. M. P. McGrath and F. S. Rowland, J. Chem. Phys. 122, 134312 (2005).
30. D. A. Dixon, D. Feller, C.-G. Zhan, and J. S. Francisco, J. Phys. Chem. A 106, 3191 (2002).
31. C. M. Roehl, S. A. Nizkorodov, H. Zhang, G. A. Blake, and P. O. Wennberg, J. Phys. Chem. A 106, 3766 (2002).
32. S. K. Witonsky, M. R. Canagaratna, S. L. Coy, J. I. Steinfeld, R. W. Field, and A. A. Kachanov, J. Chem. Phys. 115, 3134 (2001).
33. D. J. Donaldson, J. Orlando, S. Amann, G. Tyndall, R. Proos, B. Henry, and V. Vaida, J. Phys. Chem. A 102, 5171 (1998).