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Ultrafast relaxation and 2D IR of the aqueous trifluorocarboxylate ion

Source: J. Chem. Phys. 132, 044501 (2010); doi:10.1063/1.3285265

Published 22 January 2010

KEYWORDS and PACS
Keywords
PACS
  • 78.30.C-
    Liquids
  • 61.20.Ja
    Computer simulation of liquid structure
  • 78.47.jf
    Photon echoes in condensed matter
  • 78.47.J-
    Ultrafast pump/probe spectroscopy (<1 ps) in condensed matter
  • YEAR: 2010
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PUBLICATION DATA
ISSN:
1553-9601 (online)
Publisher:
AIP is a member of CrossRef AIP
Daniel G. Kuroda, Dmitriy Yu. Vorobyev, and Robin M. Hochstrasser
Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104, USA
The asymmetric stretching vibration of the amphiphilic trifluoroacetate ion and its 13C[Double Bond]16O isotopologue in D2O were investigated with infrared spectroscopy (FTIR), ultrafast infrared pump probe, and two dimensional vibrational photon echo techniques and simulations. Trifluoroacetate ions have a nonexponential depopulation of the first vibrational excited state, which is well described by a kinetic mechanism involving a temperature dependent solvent assisted relaxation to the symmetric stretch mode. The vibrational spectrum of the asymmetric stretch of the 13C[Double Bond]16O isotopologue presents an unusual spectral shape. The frequency-frequency autocorrelation function shows a static term not present in the 13C[Double Bond]16O form, which is caused by an accidental degeneracy with a combinational mode. A newly developed frequency map for carboxylate is used to characterize the processes and dynamics observed in the frequency fluctuations of the carboxylate asymmetric stretch mode in aqueous solution. An assignment of the molecular processes that govern the frequency fluctuations is suggested from an analysis of the solvation shell configurations obtained from molecular dynamics simulations. ©2010 American Institute of Physics
History: Received 28 October 2009; accepted 12 December 2009; published 22 January 2010
Permalink: http://link.aip.org/link/?JCPSA6/132/044501/1

REFERENCES (37)

For access to fully linked references, you need to log in. For access to fully linked references, you need to Log in.
  1. P. Hamm, M. Lim, and R. M. Hochstrasser, J. Chem. Phys. 107, 10523 (1997).
  2. J. C. Owrutsky, D. Raftery, and R. M. Hochstrasser, Annu. Rev. Phys. Chem. 45, 519 (1994).
  3. Y. L. A. Rezus and H. J. Bakker, Phys. Rev. Lett. 99, 148301 (2007).
  4. D. Y. Vorobyev, C. H. Kuo, J. X. Chen, D. G. Kuroda, J. N. Scott, J. M. Vanderkooi, and R. M. Hochstrasser, J. Phys. Chem. B 113, 15382 (2009).
  5. C. H. Kuo and R. M. Hochstrasser, Chem. Phys. 341, 21 (2007).
  6. C. H. Kuo, D. Y. Vorobyev, J. X. Chen, and R. M. Hochstrasser, J. Phys. Chem. B 111, 14028 (2007).
  7. H. S. Frank and M. W. Evans, J. Chem. Phys. 13, 507 (1945).
  8. R. Haselmeier, M. Holz, W. Marbach, and H. Weingartner, J. Phys. Chem. 99, 2243 (1995)
    9. Y. Ishihara, S. Okouchi, and H. Uedaira, J. Chem. Soc., Faraday Trans. 93, 3337 (1997)
    S. Okouchi, T. Moto, Y. Ishihara, H. Numajiri, and H. Uedaira, ibid. 92, 1853 (1996)
    A. Shimizu, K. Fumino, K. Yukiyasu, and Y. Taniguchi, J. Mol. Liq. 85, 269 (2000).
  9. D. Laage, G. Stirnemann, and J. T. Hynes, J. Phys. Chem. B 113, 2428 (2009)
    10. P. J. Rossky and M. Karplus, J. Am. Chem. Soc. 101, 1913 (1979)
    D. A. Zichi and P. J. Rossky, J. Chem. Phys. 84, 2814 (1986).
  10. K. Kwak, S. Park, I. J. Finkelstein, and M. D. Fayer, J. Chem. Phys. 127, 124503 (2007).
  11. K. Lazonder, M. S. Pshenichnikov, and D. A. Wiersma, Opt. Lett. 31, 3354 (2006).
  12. B. M. Auer and J. L. Skinner, J. Chem. Phys. 128, 224511 (2008)
    13. A. Paarmann, T. Hayashi, S. Mukamel, and R. J. D. Miller, ibid. 128, 191103 (2008).
  13. P. Bouř and T. A. Keiderling, J. Chem. Phys. 119, 11253 (2003)
    14. S. Ham, J. H. Kim, H. Lee, and M. H. Cho, ibid. 118, 3491 (2003)
    J. R. Schmidt, S. A. Corcelli, and J. L. Skinner, ibid. 121, 8887 (2004).
  14. T. Hayashi, W. Zhuang, and S. Mukamel, J. Phys. Chem. A 109, 9747 (2005).
  15. J. H. Choi, K. I. Oh, H. Lee, C. Lee, and M. Cho, J. Chem. Phys. 128, 134506 (2008).
  16. S. Bagchi, C. Falvo, S. Mukamel, and R. M. Hochstrasser, J. Phys. Chem. B 113, 11260 (2009).
  17. Y. S. Kim, J. P. Wang, and R. M. Hochstrasser, J. Phys. Chem. B 109, 7511 (2005).
  18. J. C. Phillips, R. Braun, W. Wang, J. Gumbart, E. Tajkhorshid, E. Villa, C. Chipot, R. D. Skeel, L. Kale, and K. Schulten, J. Comput. Chem. 26, 1781 (2005).
  19. C. Schroder, T. Rudas, G. Neumayr, W. Gansterer, and O. Steinhauser, J. Chem. Phys. 127, 044505 (2007).
  20. C. Mattos, B. Rasmussen, X. C. Ding, G. A. Petsko, and D. Ringe, Nat. Struct. Biol. 1, 55 (1994).
  21. M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., Gaussian, Inc., Pittsburgh, PA, 2003.
  22. M. Nara, H. Torii, and M. Tasumi, J. Phys. Chem. 100, 19812 (1996).
  23. E. Gojlo, M. Smiechowski, A. Panuszko, and J. Stangret, J. Phys. Chem. B 113, 8128 (2009).
  24. P. A. Bergström and J. Lindgren, J. Mol. Struct. 245, 221 (1991)
    25. O. Kristiansson, J. Lindgren, and J. Devillepin, J. Phys. Chem. 92, 2680 (1988)
    S. T. Shipman, P. C. Douglass, H. S. Yoo, C. E. Hinkle, E. L. Mierzejewski, and B. H. Pate, Phys. Chem. Chem. Phys. 9, 4572 (2007)
    J. Stangret and T. Gampe, J. Phys. Chem. A 106, 5393 (2002).
  25. K. O. Christe and D. Naumann, Spectrochim. Acta, Part A 29, 2017 (1973).
  26. R. C. Weast, CRC Handbook of Chemistry and Physics, 1st Student ed. (CRC, Boca Raton, FL, 1988).
  27. K. Wynne and R. M. Hochstrasser, Chem. Phys. 193, 211 (1995).
  28. M. Lim and R. M. Hochstrasser, J. Chem. Phys. 115, 7629 (2001)
    29. P. Hamm, M. H. Lim, and R. M. Hochstrasser, J. Phys. Chem. B 102, 6123 (1998).
  29. S. Z. Li, J. R. Schmidt, and J. L. Skinner, J. Chem. Phys. 125, 244507 (2006).
  30. R. Rey and J. T. Hynes, J. Chem. Phys. 108, 142 (1998).
  31. P. Hamm, M. Lim, and R. M. Hochstrasser, Phys. Rev. Lett. 81, 5326 (1998).
  32. K. Kwak and M. H. Cho, J. Chem. Phys. 119, 2256 (2003).
  33. K. Kwak, D. E. Rosenfeld, and M. D. Fayer, J. Chem. Phys. 128, 204505 (2008).
  34. P. Hamm and R. M. Hochstrasser, in Ultrafast Infrared and Raman Spectroscopy, edited by M. D. Fayer (Dekker, New York, 2001), p. 273.
  35. J. J. Loparo, C. J. Fecko, J. D. Eaves, S. T. Roberts, and A. Tokmakoff, Phys. Rev. B 70, 180201 (2004).
  36. R. Kumar, J. R. Schmidt, and J. L. Skinner, J. Chem. Phys. 126, 204107 (2007).
  37. S. Koneshan, J. C. Rasaiah, R. M. Lynden-Bell, and S. H. Lee, J. Phys. Chem. B 102, 4193 (1998).

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