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Linked References

1. R. Goody, Principles of Atmospheric Physics and Chemistry, Oxford University Press, Oxford, UK, 1995.
2. D. J. Donaldson, A. F. Tuck, and V. Vaida, “Atmospheric photochemistry via vibrational overtone absorption,” Chemical Reviews, vol. 103, no. 12, pp. 4717–4729, 2003. View at Publisher · View at Google Scholar · View at PubMed
3. B. J. Finlayson-Pitts and J. N. Pitts, Chemistry of the Upper and Lower Atmosphere: Theory, Experiments, and Applications, Academic Press, New York, NY, USA, 2000.
4. J. G. Calvert and J. N. Pitts, Photochemistry, John Wiley & Sons, New York, NY, USA, 1966.
5. R. P. Wayne, Principles and Applications of Photochemistry, Oxford University Press, Oxford, UK, 1988.
6. V. Vaida, “Review article: sunlight initiated atmospheric photochemical reactions,” International Journal of Photoenergy, vol. 7, no. 2, pp. 61–70, 2005. View at Publisher · View at Google Scholar
7. V. Vaida, H. G. Kjaergaard, P. E. Hintze, and D. J. Donaldson, “Photolysis of sulfuric acid vapor by visible solar radiation,” Science, vol. 299, no. 5612, pp. 1566–1568, 2003. View at Publisher · View at Google Scholar · View at PubMed
8. K. J. Feierabend, D. K. Havey, S. S. Brown, and V. Vaida, “Experimental absolute intensities of the 4${\nu }_9$ and 5${\nu }_9$ O-H stretching overtones of ${\text{H}}_2{\text{SO}}_4$,” Chemical Physics Letters, vol. 420, no. 4–6, pp. 438–442, 2006. View at Publisher · View at Google Scholar
9. D. K. Havey and V. Vaida, “Near infrared spectroscopy of organic acids: comparing O-H and C-H oscillator frequencies and intensities,” Journal of Molecular Spectroscopy, vol. 228, no. 1, pp. 152–159, 2004. View at Publisher · View at Google Scholar
10. J. R. Lane, H. G. Kjaergaard, K. L. Plath, and V. Vaida, “Overtone spectroscopy of sulfonic acid derivatives,” Journal of Physical Chemistry A, vol. 111, no. 25, pp. 5434–5440, 2007. View at Publisher · View at Google Scholar · View at PubMed
11. Y. Miller and R. B. Gerber, “Dynamics of vibrational overtone excitations of ${\text{H}}_2{\text{SO}}_4,{\text{H}}_2{\text{SO}}_4{\text{-H}}_2\text{O}$: hydrogen-hopping and photodissociation processes,” Journal of the American Chemical Society, vol. 128, no. 30, pp. 9594–9595, 2006. View at Publisher · View at Google Scholar · View at PubMed
12. Y. Miller, R. B. Gerber, and V. Vaida, “Photodissociation yields for vibrationally excited states of sulfuric acid under atmospheric conditions,” Geophysical Research Letters, vol. 34, no. 16, L16820, 2007. View at Publisher · View at Google Scholar
13. M. J. Mills, O. B. Toon, V. Vaida, et al., “Photolysis of sulfuric acid vapor by visible as a source of the polar stratospheric CN layer,” Journal of Geophysical Research, vol. 110, no. 8, D08201, 2005. View at Publisher · View at Google Scholar
14. L. M. Reynard and D. J. Donaldson, “Overtone-induced chemistry of trifluoroacetic acid: an experimental and theoretical study,” Journal of Physical Chemistry A, vol. 106, no. 37, pp. 8651–8657, 2002. View at Publisher · View at Google Scholar
15. N. Rontu and V. Vaida, “Vibrational spectroscopy of perfluorocarboxylic acids from the infrared to the visible regions,” Journal of Physical Chemistry B, vol. 112, no. 2, pp. 276–282, 2008. View at Publisher · View at Google Scholar · View at PubMed
16. M. Staikova, M. Oh, and D. J. Donaldson, “Overtone-induced decarboxylation: a potential sink for atmospheric diacids,” Journal of Physical Chemistry A, vol. 109, no. 4, pp. 597–602, 2005. View at Publisher · View at Google Scholar · View at PubMed
17. L. Fono, D. J. Donaldson, R. J. Proos, and B. R. Henry, “OH overtone spectra and intensities of pernitric acid,” Chemical Physics Letters, vol. 311, no. 3-4, pp. 131–138, 1999. View at Publisher · View at Google Scholar
18. D. K. Havey, K. J. Feierabend, K. Takahashi, R. T. Skodje, and V. Vaida, “Experimental and theoretical investigation of vibrational overtones of glycolic acid and its hydrogen bonding interactions with water,” Journal of Physical Chemistry A, vol. 110, no. 20, pp. 6439–6446, 2006. View at Publisher · View at Google Scholar · View at PubMed
19. I. M. Konen, E. X. J. Li, M. I. Lester, J. Vázquez, and J. F. Stanton, “Infrared overtone spectroscopy and vibrational analysis of a Fermi resonance in nitric acid: experiment and theory,” The Journal of Chemical Physics, vol. 125, no. 7, Article ID 074310, 12 pages, 2006. View at Publisher · View at Google Scholar · View at PubMed
20. J. Matthews, A. Sinha, and J. S. Francisco, “Relative vibrational overtone intensity of cis-cis and trans-perp peroxynitrous acids,” The Journal of Chemical Physics, vol. 120, no. 22, pp. 10543–10553, 2004. View at Publisher · View at Google Scholar · View at PubMed
21. J. Matthews, A. Sinha, and J. S. Francisco, “The importance of weak absorption features in promoting tropospheric radical production,” Proceedings of the National Academy of Sciences of the United States of America, vol. 102, no. 21, pp. 7449–7452, 2005. View at Publisher · View at Google Scholar · View at PubMed
22. Y. Miller, G. M. Chaban, B. J. Finlayson-Pitts, and R. B. Gerber, “Photochemical processes induced by vibrational overtone excitations: dynamics simulations for cis-HONO, trans-HONO, ${\text{HNO}}_3$, and ${\text{HNO}}_3$-${\text{H}}_2\text{O}$,” Journal of Physical Chemistry A, vol. 110, no. 16, pp. 5342–5354, 2006. View at Publisher · View at Google Scholar · View at PubMed
23. S. A. Nizkorodov, J. D. Crounse, J. L. Fry, C. M. Roehl, and P. O. Wennberg, “Near-IR photodissociation of peroxy acetyl nitrate,” Atmospheric Chemistry and Physics, vol. 5, no. 2, pp. 385–392, 2005.
24. S. S. Brown, R. W. Wilson, and A. R. Ravishankara, “Absolute intensities for third and fourth overtone absorptions in ${\text{HNO}}_3$ and ${\text{H}}_2{\text{O}}_2$ measured by cavity ring down spectroscopy,” Journal of Physical Chemistry A, vol. 104, no. 21, pp. 4976–4983, 2000. View at Publisher · View at Google Scholar
25. D. J. Donaldson and J. S. Francisco, “Bimolecular reaction of molecular oxygen with overtone excited HOOH: implications for recycling ${\text{HO}}_2$ in the atmosphere,” Physical Chemistry Chemical Physics, vol. 5, no. 15, pp. 3183–3187, 2003. View at Publisher · View at Google Scholar
26. D. J. Donaldson, G. J. Frost, K. H. Rosenlof, A. F. Tuck, and V. Vaida, “Atmospheric radical production by excitation of vibrational overtones via absorption of visible light,” Geophysical Research Letters, vol. 24, no. 21, pp. 2651–2654, 1997. View at Publisher · View at Google Scholar
27. L. M. Haynes, K. M. Vogelhuber, J. L. Pippen, and S. Hsieh, “Effects of torsion on O-H stretch overtone spectra and direct overtone photolysis of methyl hydroperoxide,” The Journal of Chemical Physics, vol. 123, no. 23, Article ID 234306, 9 pages, 2005. View at Publisher · View at Google Scholar · View at PubMed
28. C. M. Roehl, S. A. Nizkorodov, H. Zhang, G. A. Blake, and P. O. Wennberg, “Photodissociation of peroxynitric acid in the near-IR,” Journal of Physical Chemistry A, vol. 106, no. 15, pp. 3766–3772, 2002. View at Publisher · View at Google Scholar
29. R. J. Salawitch, P. O. Wennberg, G. C. Toon, B. Sen, and J.-F. Blavier, “Near IR photolysis of ${\text{HO}}_2{\text{NO}}_2$: implications for ${\text{HO}}_x$,” Geophysical Research Letters, vol. 29, no. 16, 1762, 2002. View at Publisher · View at Google Scholar
30. M. Staikova, D. J. Donaldson, and J. S. Francisco, “Overtone-induced reactions on the ${\text{HO}}_2{\text{NO}}_2$ potential surface,” Journal of Physical Chemistry A, vol. 106, no. 12, pp. 3023–3028, 2002. View at Publisher · View at Google Scholar
31. P. O. Wennberg, R. J. Salawitch, D. J. Donaldson, et al., “Twilight observations suggest unknown sources of ${\text{HO}}_x$,” Geophysical Research Letters, vol. 26, no. 10, pp. 1373–1376, 1999. View at Publisher · View at Google Scholar
32. H. Zhang, C. M. Roehl, S. P. Sander, and P. O. Wennberg, “Intensity of the second and third OH overtones of ${\text{H}}_2{\text{O}}_2$, ${\text{HNO}}_3$, and ${\text{HO}}_2{\text{NO}}_2$,” Journal of Geophysical Research, vol. 105, no. D11, pp. 14593–14598, 2000. View at Publisher · View at Google Scholar
33. P. Di Carlo, W. H. Brune, M. Martinez, et al., “Missing OH reactivity in a forest: evidence for unknown reactive biogenic VOCs,” Science, vol. 304, no. 5671, pp. 722–725, 2004. View at Publisher · View at Google Scholar · View at PubMed
34. C. L. Heald, D. J. Jacob, R. J. Park, et al., “A large organic aerosol source in the free troposphere missing from current models,” Geophysical Research Letters, vol. 32, no. 18, L18809, 2005. View at Publisher · View at Google Scholar
35. Y. Rudich, N. M. Donahue, and T. F. Mentel, “Aging of organic aerosol: bridging the gap between laboratory and field studies,” Annual Review of Physical Chemistry, vol. 58, pp. 321–352, 2007. View at Publisher · View at Google Scholar · View at PubMed
36. J. Williams, “Organic trace gases in the atmosphere: an overview,” Environmental Chemistry, vol. 1, no. 3, pp. 125–136, 2004. View at Publisher · View at Google Scholar
37. B. Ervens, A. G. Carlton, B. J. Turpin, K. E. Altieri, S. M. Kreidenweis, and G. Feingold, “Secondary organic aerosol yields from cloud-processing of isoprene oxidation products,” Geophysical Research Letters, vol. 35, no. 2, L02816, 2008. View at Publisher · View at Google Scholar
38. R. Volkamer, J. L. Jimenez, F. San Martini, et al., “Secondary organic aerosol formation from anthropogenic air pollution: rapid and higher than expected,” Geophysical Research Letters, vol. 33, no. 17, L17811, 2006. View at Publisher · View at Google Scholar
39. R. Volkamer, F. San Martini, L. T. Molina, D. Salcedo, J. L. Jimenez, and M. J. Molina, “A missing sink for gas-phase glyoxal in Mexico City: formation of secondary organic aerosol,” Geophysical Research Letters, vol. 34, no. 19, L19807, 2007. View at Publisher · View at Google Scholar
40. E. B. Wilson, J. C. Decius, and P. C. Cross, Molecular Vibrations, McGraw-Hill, New York, NY, USA, 1955.
41. M. S. Child, “Local mode overtone spectra,” Accounts of Chemical Research, vol. 18, no. 2, pp. 45–50, 1985. View at Publisher · View at Google Scholar
42. B. R. Henry, “Use of local modes in the description of highly vibrationally excited molecules,” Accounts of Chemical Research, vol. 10, no. 6, pp. 207–213, 1977. View at Publisher · View at Google Scholar
43. B. R. Henry and H. G. Kjaergaard, “Local modes,” Canadian Journal of Chemistry, vol. 80, no. 12, pp. 1635–1642, 2002. View at Publisher · View at Google Scholar
44. B. R. Henry, “The local mode model and overtone spectra: a probe of molecular structure and conformation,” Accounts of Chemical Research, vol. 20, no. 12, pp. 429–435, 1987. View at Publisher · View at Google Scholar
45. W. Siebrand and D. F. Williams, “Radiationless transitions in polyatomic molecules. III. Anharmonicity, isotope effects, and singlet-to-ground-state transitions in aromatic hydrocarbons,” The Journal of Chemical Physics, vol. 49, no. 4, pp. 1860–1871, 1968. View at Publisher · View at Google Scholar
46. M. S. Child and L. Halonen, “Overtone frequencies and intensities in the local mode picture,” Advances in Chemical Physics, vol. 57, pp. 1–58, 1984. View at Publisher · View at Google Scholar
47. L. Halonen, “Local mode vibrations in polyatomic molecules,” Advances in Chemical Physics, vol. 104, pp. 41–179, 1998. View at Publisher · View at Google Scholar
48. B. R. Henry and W. Siebrand, “Anharmonicity in polyatomic molecules. The Ch-stretching overtone spectrum of benzene,” The Journal of Chemical Physics, vol. 49, no. 12, pp. 5369–5376, 1968. View at Publisher · View at Google Scholar
49. R. Mecke, “Dipolmoment Und Chemische Bindung,” Zeitschrift für Elektrochemie, vol. 54, no. 1, pp. 38–42, 1950.
50. J. W. Perry and A. H. Zewail, “Local modes: their relaxation, polarization, and stereoselective excitation by lasers,” Journal of Physical Chemistry, vol. 86, no. 26, pp. 5197–5205, 1982. View at Publisher · View at Google Scholar
51. M. Quack, “Spectra and dynamics of coupled vibrations in polyatomic molecules,” Annual Review of Physical Chemistry, vol. 41, no. 1, pp. 839–874, 1990. View at Publisher · View at Google Scholar
52. M. L. Sage and J. Jortner, “Cooperative excitations of bond modes,” Chemical Physics Letters, vol. 79, no. 1, pp. 9–14, 1981. View at Publisher · View at Google Scholar
53. P. R. Stannard, M. L. Elert, and W. M. Gelbart, “On the overtone-combination spectra of ${\text{XY}}_2$ moleculesa,” The Journal of Chemical Physics, vol. 74, no. 11, pp. 6050–6062, 1981. View at Publisher · View at Google Scholar
54. A. Callegari and T. R. Rizzo, “State-to-state unimolecular reaction dynamics of highly vibrationally excited molecules,” Chemical Society Reviews, vol. 30, no. 4, pp. 214–225, 2001. View at Publisher · View at Google Scholar
55. F. F. Crim, “Bond-selected chemistry: vibrational state control of photodissociation and bimolecular reaction,” Journal of Physical Chemistry, vol. 100, no. 31, pp. 12725–12734, 1996. View at Publisher · View at Google Scholar
56. F. F. Crim, “Vibrational state control of bimolecular reactions: discovering and directing the chemistry,” Accounts of Chemical Research, vol. 32, no. 10, pp. 877–884, 1999. View at Publisher · View at Google Scholar
57. A. Sinha, R. L. Vander Wal, and F. F. Crim, “State-resolved unimolecular reactions: the vibrational overtone initiated decomposition of nitric acid,” The Journal of Chemical Physics, vol. 92, no. 1, pp. 401–410, 1990. View at Publisher · View at Google Scholar
58. T. Uzer, J. T. Hynes, and W. P. Reinhardt, “Classical dynamics of intramolecular energy flow and overtone-induced dissociation in ${\text{HO}}_2\text{H}$ and ${\text{HO}}_2\text{D}$,” The Journal of Chemical Physics, vol. 85, no. 10, pp. 5791–5804, 1986. View at Publisher · View at Google Scholar
59. E. L. Sibert, III, W. P. Reinhardt, and J. T. Hynes, “Classical dynamics of energy transfer between bonds in ABA triatomics,” The Journal of Chemical Physics, vol. 77, no. 7, pp. 3583–3594, 1982. View at Publisher · View at Google Scholar
60. E. L. Sibert, III, W. P. Reinhardt, and J. T. Hynes, “Intramolecular vibrational relaxation and spectra of CH and CD overtones in benzene and perdeuterobenzene,” The Journal of Chemical Physics, vol. 81, no. 3, pp. 1115–1134, 1984. View at Publisher · View at Google Scholar
61. F. F. Crim, “Selective excitation studies of unimolecular reaction dynamics,” Annual Review of Physical Chemistry, vol. 35, pp. 657–691, 1984. View at Publisher · View at Google Scholar
62. T. R. Rizzo, C. C. Hayden, and F. F. Crim, “State-resolved product detection in the overtone vibration initiated unimolecular decomposition of $\text{HOOH}(6_{\nu \text{OH}})$,” The Journal of Chemical Physics, vol. 81, no. 10, pp. 4501–4509, 1984. View at Publisher · View at Google Scholar
63. T. M. Ticich, T. R. Rizzo, H.-R. Dubai, and F. F. Crim, “Unimolecular reactions near threshold: the overtone vibration initiated decomposition of $\text{HOOH}(5_{\nu \text{OH}})$,” The Journal of Chemical Physics, vol. 84, no. 3, pp. 1508–1520, 1986. View at Publisher · View at Google Scholar
64. I. M. Konen, E. X. J. Li, T. A. Stephenson, and M. I. Lester, “Second OH overtone excitation and statistical dissociation dynamics of peroxynitrous acid,” The Journal of Chemical Physics, vol. 123, no. 20, Article ID 204318, 11 pages, 2005. View at Publisher · View at Google Scholar · View at PubMed
65. I. M. Konen, I. B. Pollack, E. X. J. Li, M. I. Lester, M. E. Varner, and J. F. Stanton, “Infrared overtone spectroscopy and unimolecular decay dynamics of peroxynitrous acid,” The Journal of Chemical Physics, vol. 122, no. 9, Article ID 204318, 16 pages, 2005. View at Publisher · View at Google Scholar · View at PubMed
66. E. X. J. Li, I. M. Konen, M. I. Lester, and A. B. McCoy, “Spectroscopic characterization of peroxynitrous acid in cis-perp configurations,” Journal of Physical Chemistry A, vol. 110, no. 17, pp. 5607–5612, 2006. View at Publisher · View at Google Scholar · View at PubMed
67. J. Matthews, A. Sinha, and J. S. Francisco, “Unimolecular dissociation and thermochemistry of ${\text{CH}}_3\text{OOH}$,” The Journal of Chemical Physics, vol. 122, no. 22, Article ID 221101, 4 pages, 2005. View at Publisher · View at Google Scholar · View at PubMed
68. E. L. Derro, C. Murray, T. D. Sechler, and M. I. Lester, “Infrared action spectroscopy and dissociation dynamics of the HOOO radical,” Journal of Physical Chemistry A, vol. 111, no. 45, pp. 11592–11601, 2007. View at Publisher · View at Google Scholar · View at PubMed
69. C. Murray, E. L. Derro, T. D. Sechler, and M. I. Lester, “Stability of the hydrogen trioxy radical via infrared action spectroscopy,” Journal of Physical Chemistry A, vol. 111, no. 22, pp. 4727–4730, 2007. View at Publisher · View at Google Scholar · View at PubMed
70. D. Bingemann, M. P. Gorman, A. M. King, and F. F. Crim, “Time-resolved vibrationally mediated photodissociation of ${\text{HNO}}_3$: watching vibrational energy flow,” The Journal of Chemical Physics, vol. 107, no. 2, pp. 661–664, 1997. View at Publisher · View at Google Scholar
71. A. Sinha, R. L. Vander Wal, and F. F. Crim, “The vibrationally mediated photodissociation dynamics of nitric acid,” The Journal of Chemical Physics, vol. 91, no. 5, pp. 2929–2938, 1989. View at Publisher · View at Google Scholar
72. Y. S. Li, R. M. Whitnell, K. R. Wilson, and R. D. Levine, “Solvent effects on dynamics of overtone-induced dissociation,” Journal of Physical Chemistry, vol. 97, no. 15, pp. 3647–3657, 1993. View at Publisher · View at Google Scholar
73. S. Skokov, K. A. Peterson, and J. M. Bowman, “An accurate ab initio HOCl potential energy surface, vibrational and rotational calculations, and comparison with experiment,” The Journal of Chemical Physics, vol. 109, no. 7, pp. 2662–2671, 1998. View at Publisher · View at Google Scholar
74. S. Skokov, J. Qi, J. M. Bowman, et al., “Accurate variational calculations and analysis of the HOCl vibrational energy spectrum,” The Journal of Chemical Physics, vol. 109, no. 23, pp. 10273–10283, 1998. View at Publisher · View at Google Scholar
75. J. Weiss, J. Hauschildt, R. Schinke, et al., “The unimolecular dissociation of the OH stretching states of HOCl: comparison with experimental data,” The Journal of Chemical Physics, vol. 115, no. 19, pp. 8880–8887, 2001. View at Publisher · View at Google Scholar
76. H. G. Kjaergaard, D. L. Howard, D. P. Schofield, T. W. Robinson, S.-I. Ishiuchi, and M. Fujii, “OH- and CH-stretching overtone spectra of catechol,” Journal of Physical Chemistry A, vol. 106, no. 2, pp. 258–266, 2002. View at Publisher · View at Google Scholar
77. K. Takahashi, “XH Stretching Vibrational Spectra: A Theoretical Perspective,” Ph. D. diss., Keio University, , 2004.
78. D. J. Donaldson, J. J. Orlando, S. Amann, et al., “Absolute intensities of nitric acid overtones,” Journal of Physical Chemistry A, vol. 102, no. 27, pp. 5171–5174, 1998. View at Publisher · View at Google Scholar
79. N. Rontu and V. Vaida, “Vibrational spectroscopy of perfluoropropionic acid in the region between 1000 and 11 000 ${\text{cm}}^{-1}$,” Journal of Molecular Spectroscopy, vol. 237, no. 1, pp. 19–26, 2006. View at Publisher · View at Google Scholar
80. D. P. Schofield, H. G. Kjaergaard, J. Matthews, and A. Sinha, “The OH-stretching and OOH-bending overtone spectrum of HOONO,” Journal of Chemical Physics, vol. 123, no. 13, Article ID 134318, 9 pages, 2005. View at Publisher · View at Google Scholar · View at PubMed
81. S. A. Nizkorodov, M. Ziemkiewicz, D. J. Nesbitt, and A. E.W. Knight, “Overtone spectroscopy of ${\text{H}}_2\text{O}$ clusters in the $v_{\text{OH}}=2$ manifold: infrared-ultraviolet vibrationally mediated dissociation studies,” Journal of Chemical Physics, vol. 122, no. 19, pp. 1–11, 2005. View at Publisher · View at Google Scholar
82. K. R. Lange, N. P. Wells, K. S. Plegge, and J. A. Phillips, “Integrated intensities of O-H stretching bands: fundamentals and overtones in vapor-phase alcohols and acids,” Journal of Physical Chemistry A, vol. 105, no. 14, pp. 3481–3486, 2001. View at Publisher · View at Google Scholar
83. J. A. Phillips, J. J. Orlando, G. S. Tyndall, and V. Vaida, “Integrated intensities of OH vibrational overtones in alcohols,” Chemical Physics Letters, vol. 296, no. 3-4, pp. 377–383, 1998. View at Publisher · View at Google Scholar
84. K. Takahashi, M. Sugawara, and S. Yabushita, “Effective one-dimensional dipole moment function for the OH stretching overtone spectra of simple acids and alcohols,” The Journal of Physical Chemistry A, vol. 109, no. 19, pp. 4242–4251, 2005. View at Publisher · View at Google Scholar · View at PubMed
85. M. E. Dunn, G. C. Shields, and V. Vaida, “Experimental and theoretical study of the OH vibrational spectra and overtone chemistry of gas-phase vinylacetic acid,” submitted to The Journal of Physical Chemistry A.
86. D. W. Chandler, W. E. Farneth, and R. N. Zare, “A search for mode-selective chemistry: the unimolecular dissociation of t-butyl hydroperoxide induced by vibrational overtone excitation,” The Journal of Chemical Physics, vol. 77, no. 9, pp. 4447–4458, 1982. View at Publisher · View at Google Scholar
87. M.-C. Chuang, J. E. Baggott, D. W. Chandler, W. E. Farneth, and R. N. Zare, “Unimolecular decomposition of t-butylhydroperoxide by direct excitation of the 6-0 O-H stretching overtone,” Faraday Discussions of the Chemical Society, vol. 75, pp. 301–313, 1983. View at Publisher · View at Google Scholar
88. R. L. Swofford, M. E. Long, and A. C. Albrecht, “C-H vibrational states of benzene, naphthalene, and anthracene in the visible region by thermal lensing spectroscopy and the local mode model,” The Journal of Chemical Physics, vol. 65, no. 1, pp. 179–190, 1976. View at Publisher · View at Google Scholar
89. M. S. Burberry, J. A. Morrell, A. C. Albrecht, and R. L. Swofford, “Local mode overtone intensities of C-H stretching modes in alkanes and methyl substituted benzenes,” The Journal of Chemical Physics, vol. 70, no. 12, pp. 5522–5526, 1979. View at Publisher · View at Google Scholar
90. O. S. Mortensen, B. R. Henry, and M. A. Mohammadi, “The effects of symmetry within the local mode picture: a reanalysis of the overtone spectra of the dihalomethanes,” The Journal of Chemical Physics, vol. 75, no. 10, pp. 4800–4808, 1981. View at Publisher · View at Google Scholar
91. R. T. Birge and H. Sponer, “The heat of dissociation of non-polar molecules,” Physical Review, vol. 28, no. 2, pp. 259–283, 1926. View at Publisher · View at Google Scholar
92. P. M. Morse, “Diatomic molecules according to the wave mechanics. II. Vibrational levels,” Physical Review, vol. 34, no. 1, pp. 57–64, 1929. View at Publisher · View at Google Scholar
93. O. L. Polyansky, A. G. Császár, S. V. Shirin, et al., “High-accuracy ab initio rotation-vibration transitions for water,” Science, vol. 299, no. 5606, pp. 539–542, 2003. View at Publisher · View at Google Scholar · View at PubMed
94. D. B. Atkinson, “Solving chemical problems of environmental importance using cavity ring-down spectroscopy,” The Analyst, vol. 128, no. 2, pp. 117–125, 2003. View at Publisher · View at Google Scholar
95. S. M. Ball and R. L. Jones, “Broad-band cavity ring-down spectroscopy,” Chemical Reviews, vol. 103, no. 12, pp. 5239–5262, 2003. View at Publisher · View at Google Scholar · View at PubMed
96. G. Berden, R. Peeters, and G. Meijer, “Cavity ring-down spectroscopy: experimental schemes and applications,” International Reviews in Physical Chemistry, vol. 19, no. 4, pp. 565–607, 2000. View at Publisher · View at Google Scholar
97. S. S. Brown, “Absorption spectroscopy in high-finesse cavities for atmospheric studies,” Chemical Reviews, vol. 103, no. 12, pp. 5219–5238, 2003. View at Publisher · View at Google Scholar · View at PubMed
98. J. J. Scheret, J. B. Paul, A. O'Keefe, and R. J. Saykally, “Cavity ringdown laser absorption spectroscopy: history, development, and application to pulsed molecular beams,” Chemical Reviews, vol. 97, no. 1, pp. 25–51, 1997. View at Publisher · View at Google Scholar
99. B. R. Henry, H. G. Kjaergaard, B. Niefer, B. J. Schattka, and D. M. Turnbull, “The local mode model and recent advances in laser based photoacoustic spectroscopyy—1992 Gerhard Herzberg Award Address,” Canadian Journal of Applied Spectroscopy, vol. 38, no. 2, pp. 42–50, 1993.
100. B. J. Schattka, D. M. Turnbull, H. G. Kjaergaard, and B. R. Henry, “Dependence of an acoustically nonresonant intracavity photoacoustic signal on sample and buffer gas pressure,” Journal of Physical Chemistry, vol. 99, no. 17, pp. 6327–6332, 1995. View at Publisher · View at Google Scholar
101. H. D. Bruszis, “Physical foundations and application of photoacoustic spectroscopy (review),” Industrial Laboratory, vol. 52, no. 3, pp. 225–230, 1986.
102. S. C. Homitsky, S. M. Dragulin, L. M. Haynes, and S. Hsieh, “O-H stretch overtone excitation in methyl and ethyl hydroperoxides,” The Journal of Physical Chemistry A, vol. 108, no. 44, pp. 9492–9499, 2004.
103. E. P. C. Lai, B. L. Chan, and M. Hadjmohammadi, “Use and applications of photoacoustic spectroscopy,” Applied Spectroscopy Reviews, vol. 21, no. 3, pp. 179–210, 1985. View at Publisher · View at Google Scholar
104. D. L. Howard, P. Jørgensen, and H. G. Kjaergaard, “Weak intramolecular interactions in ethylene glycol identified by vapor phase OH-stretching overtone spectroscopy,” Journal of the American Chemical Society, vol. 127, no. 48, pp. 17096–17103, 2005. View at Publisher · View at Google Scholar · View at PubMed
105. S. Hsieh, B. J. Miller, A. H. Södergren, and H. G. Kjaergaard, “Vibrational overtone spectroscopy of three-membered rings,” The Journal of Physical Chemistry A, vol. 111, no. 25, pp. 5415–5421, 2007. View at Publisher · View at Google Scholar · View at PubMed
106. H. W. Rohrs, G. J. Frost, G. B. Ellison, E. C. Richard, and V. Vaida, “Fourier transform spectroscopy of radicals,” in Advances in Molecular Structure Research, M. Hargittai and I. Hargittai, Eds., vol. 1, pp. 157–199, JAI Press, Greenwich, Conn, USA, 1995.
107. D. L. Howard and H. G. Kjaergaard, “Influence of intramolecular hydrogen bond strength on OH-stretching overtones,” The Journal of Physical Chemistry A, vol. 110, no. 34, pp. 10245–10250, 2006. View at Publisher · View at Google Scholar · View at PubMed
108. K. L. Plath, et al., “Fundamental and overtone vibrational spectroscopy of gas phase pyruvic acid,” submitted to The Journal of Physical Chemistry A. In preparation.
109. P. W. Atkins and R. S. Friedman, Molecular Quantum Mechanics, Oxford University Press, Oxford, UK, 3rd edition, 1997.
110. P. Echenique and J. L. Alonso, “A mathematical and computational review of Hartree-Fock SCF methods in quantum chemistry,” Molecular Physics, vol. 105, no. 23-24, pp. 3057–3098, 2007. View at Publisher · View at Google Scholar
111. D. R. Hartree, “The wave mechanics of an atom with a non-Coulomb central field—part I: theory and methods,” Proceedings of the Cambridge Philosophical Society, vol. 24, pp. 89–110, 1928.
112. R. G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules, Oxford University Press, New York, NY, USA, 1989.
113. A. D. Becke, “Density-functional thermochemistry. III. The role of exact exchange,” The Journal of Chemical Physics, vol. 98, no. 7, pp. 5648–5652, 1993. View at Publisher · View at Google Scholar
114. C. Lee, W. Yang, and R. G. Parr, “Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density,” Physical Review B, vol. 37, no. 2, pp. 785–789, 1988. View at Publisher · View at Google Scholar
115. J. Gauss and D. Cremer, “Analytical evaluation of energy gradients in quadratic configuration-interaction theory,” Chemical Physics Letters, vol. 150, no. 3-4, pp. 280–286, 1988. View at Publisher · View at Google Scholar
116. J. A. Pople, M. Head-Gordon, and K. Raghavachari, “Quadratic configuration interaction. A general technique for determining electron correlation energies,” The Journal of Chemical Physics, vol. 87, no. 10, pp. 5968–5975, 1987. View at Publisher · View at Google Scholar
117. E. A. Salter, G. W. Trucks, and R. J. Bartlett, “Analytic energy derivatives in many-body methods. I. First derivatives,” The Journal of Chemical Physics, vol. 90, no. 3, pp. 1752–1766, 1989. View at Publisher · View at Google Scholar
118. G. D. Purvis, III and R. J. Bartlett, “A full coupled-cluster singles and doubles model: the inclusion of disconnected triples,” The Journal of Chemical Physics, vol. 76, no. 4, pp. 1910–1918, 1982. View at Publisher · View at Google Scholar
119. G. E. Scuseria, C. L. Janssen, and H. F. Schaefer, III, “An efficient reformulation of the closed-shell coupled cluster single and double excitation (CCSD) equations,” The Journal of Chemical Physics, vol. 89, no. 12, pp. 7382–7387, 1988. View at Publisher · View at Google Scholar
120. G. E. Scuseria and H. F. Schaefer, III, “Is coupled cluster singles and doubles (CCSD) more computationally intensive than quadratic configuration interaction (QCISD)?,” The Journal of Chemical Physics, vol. 90, no. 7, pp. 3700–3703, 1989. View at Publisher · View at Google Scholar
121. I. Shavitt, “The methods of configuration interaction,” in Methods of Electronic Structure Theory: Modern Theoretical Chemistry III, H. F. Schaefer, Ed., pp. 189–275, Plenum Press, New York, NY, USA, 1977.
122. T.-K. Ha, M. Lewerenz, R. Marquardt, and M. Quack, “Overtone intensities and dipole moment surfaces for the isolated CH chromophore in CHD3 and CHF3: experiment and ab initio theory,” The Journal of Chemical Physics, vol. 93, no. 10, pp. 7097–7109, 1990. View at Publisher · View at Google Scholar
123. N. M. Poulin, M. J. Bramley, T. Carrington, Jr., H. G. Kjaergaard, and B. R. Henry, “Calculation of vibrational $(J=0)$ excitation energies and band intensities of formaldehyde using the recursive residue generation method,” The Journal of Chemical Physics, vol. 104, no. 20, pp. 7807–7820, 1996. View at Publisher · View at Google Scholar
124. J. Tennyson and S. Miller, “A program suite for the calculation of ro-vibrational spectra of triatomic molecules,” Computer Physics Communications, vol. 55, no. 2, pp. 149–175, 1989. View at Publisher · View at Google Scholar
125. J. M. Bowman, “Self-consistent field energies and wavefunctions for coupled oscillators,” The Journal of Chemical Physics, vol. 68, no. 2, pp. 608–610, 1978. View at Publisher · View at Google Scholar
126. J. M. Bowman, K. Christoffel, and F. Tobin, “Application of SCF-SI theory to vibrational motion in polyatomic molecules,” Journal of Physical Chemistry, vol. 83, no. 8, pp. 905–912, 1979. View at Publisher · View at Google Scholar
127. O. Christiansen, “Vibrational coupled cluster theory,” The Journal of Chemical Physics, vol. 120, no. 5, pp. 2149–2159, 2004. View at Publisher · View at Google Scholar · View at PubMed
128. K. J. Feierabend, D. K. Havey, M. E. Varner, J. F. Stanton, and V. Vaida, “A comparison of experimental and calculated spectra of ${\text{HNO}}_3$ in the near-infrared using Fourier transform infrared spectroscopy and vibrational perturbation theory,” The Journal of Chemical Physics, vol. 124, no. 12, Article ID 124323, 6 pages, 2006. View at Publisher · View at Google Scholar · View at PubMed
129. D. Neuhauser, “Bound state eigenfunctions from wave packets: time$\to$energy resolution,” The Journal of Chemical Physics, vol. 93, no. 4, pp. 2611–2616, 1990. View at Publisher · View at Google Scholar
130. H. G. Kjaergaard, B. R. Henry, and A. W. Tarr, “Intensities in local mode overtone spectra of dimethyl ether and acetone,” The Journal of Chemical Physics, vol. 94, no. 9, pp. 5844–5854, 1991. View at Publisher · View at Google Scholar
131. K. Takahashi, M. Sugawara, and S. Yabushita, “Theoretical analysis on the fundamental and overtone OH stretching spectra of several simple acids and alcohols,” Journal of Physical Chemistry A, vol. 107, no. 50, pp. 11092–11101, 2003. View at Publisher · View at Google Scholar
132. J. Chandrasekhar, G. W. Spitznagel, and P. V. R. Schleyer, “Efficient diffuse function-augmented basis sets for anion calculations.III. The 3-21+G basis set for first-row elements, Li-F,” Journal of Computational Chemistry, vol. 4, no. 3, pp. 294–301, 1983. View at Publisher · View at Google Scholar
133. M. J. Frisch, J. A. Pople, and J. S. Binkley, “Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets,” The Journal of Chemical Physics, vol. 80, no. 7, pp. 3265–3269, 1984. View at Publisher · View at Google Scholar
134. M. J. T. Frisch, G. W. Schlegel, and H. B. Scuseria, “Gaussian 03,” Gaussian, Wallingford, Conn, USA, 2004.
135. R. Krishnan, J. S. Binkley, R. Seeger, and J. A. Pople, “Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions,” The Journal of Chemical Physics, vol. 72, no. 1, pp. 650–654, 1980. View at Publisher · View at Google Scholar
136. A. D. McLean and G. S. Chandler, “Contracted Gaussian basis sets for molecular calculations—I: second row atoms, Z=11-18,” The Journal of Chemical Physics, vol. 72, no. 10, pp. 5639–5648, 1980. View at Publisher · View at Google Scholar
137. P. E. Hintze, H. G. Kjaergaard, V. Vaida, and J. B. Burkholder, “Vibrational and electronic spectroscopy of sulfuric acid vapor,” Journal of Physical Chemistry A, vol. 107, no. 8, pp. 1112–1118, 2003. View at Publisher · View at Google Scholar
138. D. L. Howard and H. G. Kjaergaard, “Resonance coupling in the fourth OH-stretching overtone spectrum of formic acid,” The Journal of Chemical Physics, vol. 121, no. 1, pp. 136–140, 2004. View at Publisher · View at Google Scholar · View at PubMed
139. H. G. Kjaergaard, J. D. Goddard, and B. R. Henry, “Calculated intensity in the local mode overtone spectra of hydrogen peroxide,” The Journal of Chemical Physics, vol. 95, no. 8, pp. 5556–5564, 1991. View at Publisher · View at Google Scholar
140. J. Matthews, A. Sinha, and J. S. Francisco, “High level ab initio study of the structure and vibrational spectra of ${\text{HO}}_2{\text{NO}}_2$,” The Journal of Chemical Physics, vol. 121, no. 12, pp. 5720–5727, 2004. View at Publisher · View at Google Scholar · View at PubMed
141. S.-I. Ishiuchi, M. Fujii, T. W. Robinson, B. J. Miller, and H. G. Kjaergaard, “Vibrational overtone spectroscopy of phenol and its deuterated isotopomers,” Journal of Physical Chemistry A, vol. 110, no. 23, pp. 7345–7354, 2006. View at Publisher · View at Google Scholar · View at PubMed
142. K. K. Lehmann and A. M. Smith, “Where does overtone intensity come from?,” The Journal of Chemical Physics, vol. 93, no. 9, pp. 6140–6147, 1990. View at Publisher · View at Google Scholar
143. K. J. Feierabend, D. K. Havey, and V. Vaida, “Gas phase spectroscopy of ${\text{HNO}}_3$ in the region 2000–8500 ${\text{cm}}^{-1}$,” Spectrochimica Acta Part A, vol. 60, no. 12, pp. 2775–2781, 2004. View at Publisher · View at Google Scholar · View at PubMed
144. M. L. Sage, “High overtone C-H and O-H transitions in gaseous methanol: theory,” The Journal of Chemical Physics, vol. 80, no. 6, pp. 2872–2879, 1983. View at Publisher · View at Google Scholar
145. D. K. Havey, K. J. Feierabend, J. C. Black, and V. Vaida, “Temperature-dependent infrared spectra of torsional vibrations in acetic acid,” Journal of Molecular Spectroscopy, vol. 229, no. 2, pp. 151–157, 2005. View at Publisher · View at Google Scholar
146. G. M. Florio, T. S. Zwier, E. M. Myshakin, K. D. Jordan, and E. L. Sibert, III, “Theoretical modeling of the OH stretch infrared spectrum of carboxylic acid dimers based on first-principles anharmonic couplings,” The Journal of Chemical Physics, vol. 118, no. 4, pp. 1735–1746, 2003. View at Publisher · View at Google Scholar
147. C. D. Daub, B. R. Henry, M. L. Sage, and H. G. Kjaergaard, “Modelling and calculation of dipole moment functions for XH bonds,” Canadian Journal of Chemistry, vol. 77, no. 11, pp. 1775–1781, 1999. View at Publisher · View at Google Scholar
148. http://nist.gov/srd/nsrds/NSRDS-NBS37.pdf.
149. L. J. Larson, M. Kuno, and F.-M. Tao, “Hydrolysis of sulfur trioxide to form sulfuric acid in small water clusters,” The Journal of Chemical Physics, vol. 112, no. 20, pp. 8830–8838, 2000. View at Publisher · View at Google Scholar
150. K. Morokuma and C. Muguruma, “Ab initio molecular orbital study of the mechanism of the gas phase reaction ${\text{SO}}_3+{\text{H}}_2\text{O}$: importance of the second water molecule,” Journal of the American Chemical Society, vol. 116, no. 22, pp. 10316–10317, 1994. View at Publisher · View at Google Scholar
151. K. Saito, T. Shiose, O. Takahashi, Y. Hidaka, F. Aiba, and K. Tabayashi, “Unimolecular decomposition of formic acid in the gas phase-on the ratio of the competing reaction channels,” Journal of Physical Chemistry A, vol. 109, no. 24, pp. 5352–5357, 2005. View at Publisher · View at Google Scholar · View at PubMed
152. J. S. Francisco, “A comprehensive theoretical examination of primary dissociation pathways of formic acid,” The Journal of Chemical Physics, vol. 96, no. 2, pp. 1167–1175, 1992. View at Publisher · View at Google Scholar
153. L. R. Domingo, J. Andrés, V. Moliner, and V. S. Safont, “Theoretical study of the gas phase decomposition of glycolic, lactic, and 2-hydroxyisobutyric acids,” Journal of the American Chemical Society, vol. 119, no. 27, pp. 6415–6422, 1997. View at Publisher · View at Google Scholar
154. O. Takahashi, K. Itoh, and K. Saito, “A theoretical study of the bifurcation reaction—II: acetic acid,” Journal of Molecular Structure: THEOCHEM, vol. 584, no. 1–3, pp. 249–256, 2002. View at Publisher · View at Google Scholar
155. I. D. P. R. Moreira, “Performance of simplified G2 model chemistry approaches in the study of unimolecular mechanisms: thermal decomposition of acetic acid in gas phase,” Journal of Molecular Structure: THEOCHEM, vol. 466, no. 1–3, pp. 119–126, 1999. View at Publisher · View at Google Scholar
156. M. S. Child, “Overtone spectroscopy and unimolecular reactions,” Chemical Society Reviews, vol. 17, pp. 31–44, 1988. View at Publisher · View at Google Scholar
157. J. M. Jasinski, J. K. Frisoli, and C. B. Moore, “Unimolecular reactions induced by vibrational overtone excitation,” Faraday Discussions of the Chemical Society, vol. 75, pp. 289–299, 1983. View at Publisher · View at Google Scholar
158. J. L. Fry, S. A. Nizkorodov, M. Okumura, C. M. Roehl, J. S. Francisco, and P. O. Wennberg, “Cis-cis and trans-perp HOONO: action spectroscopy and isomerization kinetics,” The Journal of Chemical Physics, vol. 121, no. 3, pp. 1432–1448, 2004. View at Publisher · View at Google Scholar · View at PubMed
159. T. L. Williams, The Morphology and Processing of Models for Organic Atmospheric Aerosols, Department of Chemistry and Biochemistry, University of Colorado-Boulder, Boulder, Colo, USA, 2004.
160. K. Takahashi, Z. C. Kramer, V. Vaida, and R. T. Skodje, “Vibrational overtone induced elimination reactions within hydrogen-bonded molecular clusters: the dynamics of water catalyzed reactions in ${\text{CH}}_2\text{FOH}\cdot {({\text{H}}_2\text{O})}_n$,” Physical Chemistry Chemical Physics, vol. 9, no. 29, pp. 3864–3871, 2007. View at Publisher · View at Google Scholar · View at PubMed
161. C. J. Young and D. J. Donaldson, “Overtone-induced degradation of perfluorinated alcohols in the atmosphere,” Journal of Physical Chemistry A, vol. 111, no. 51, pp. 13466–13471, 2007. View at Publisher · View at Google Scholar · View at PubMed
162. L. M. Goss, V. Vaida, J. W. Brault, and R. T. Skodje, “Sequential two-photon dissociation of atmospheric water,” Journal of Physical Chemistry A, vol. 105, no. 1, pp. 70–75, 2001. View at Publisher · View at Google Scholar
163. N. F. Scherer and A. H. Zewail, “Picosecond photofragment spectroscopy.II. The overtone initiated unimolecular reaction ${\text{H}}_2{\text{O}}_2(v_{\text{OH}}=5)\to 2\text{OH}$,” The Journal of Chemical Physics, vol. 87, no. 1, pp. 97–114, 1987. View at Publisher · View at Google Scholar