Abstract
The work presented in this chapter has been accepted for publication as a journal article entitled ‘Vibrational and electronic excitations in fluorinated ethene cations from the ground up’ in 2013 by J. Harvey, P. Hemberger, A. Bodi and R. P. Tuckett, in the Journal of Chemical Physics. 2013, issue 138, pages 124301–124313. The majority of the data collection and analysis was performed by myself; however, the assistance lent by Ms Nicola Rogers, Drs Matthew Simpson, Andras Bodi, Melanie Johnson, and Professor Richard Tuckett during beamtime with the collection of the data, and Dr Patrick Hemberger with data analysis is gratefully acknowledged. I particularly wish to thank Dr Andras Bodi for his assistance and useful discussions relating to the excited dynamics Sect. 6.2.3. The modelling program used to model the threshold photoelectron spectra was developed by Spangenberg et al. [1].
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References
Spangenberg, D., Imhof, P., & Kleinermanns, K. (2003). Physical Chemistry Chemical Physics: PCCP, 5, 2505–2514.
Bieri, G., Niessen, W. V., Åsbrink, L., & Svensson, A. (1981). Chemical Physics, 60, 61–79.
Brundle, C. R., Robin, M. B., Kuebler, N. A., & Harold, B. J. (1972). Journal of the American Chemical Society, 94, 1451–1465.
Sell, J. A., & Kuppermann, A. J. (1979). Chemical Physics, 71, 4703–4715.
Takeshita, K. (1999). Theoretical Chemistry Accounts, 101, 343–351.
Takeshita, K. (1999). Chemical Physics, 250, 113–122.
Locht, R., Leyh, B., Dehareng, D., Hottmann, K., & Baumgärtel, H. (2010). Journal of Physics B: Atomic, Molecular and Optical, 43, 015102–015117.
Locht, R., Dehareng, D., & Leyh, B. (2012). Journal of Physics B: Atomic, Molecular and Optical, 45, 115101–115118.
Jarvis, G. K., Boyle, K. J., Mayhew, C. A., & Tuckett, R. P. (1998). Journal of Physical Chemistry A, 102, 3230–3237.
Eden, S., Limão-Vieira, P., Kendall, P. A., Mason, N. J., Delwiche, J., Hubin-Franskin, M.-J., et al. (2004). Chemical Physics, 297, 257–269.
Harvey, J., Bodi, A., Tuckett, R. P., & Sztáray, B. (2012). Physical Chemistry Chemical Physics: PCCP, 14, 3935–3948.
Dannacher, J., Schmelzer, A., Stadelmann, J.-P., & Vogt, J. (1979). International Journal of Mass Spectrometry and Ion Physics, 31, 175–186.
Güthe, F., Locht, R., Leyh, B., Baumgärtel, H., & Weitzel, K.-M. (1999). Journal of Physical Chemistry A, 103, 8404–8412.
Momigny, J., & Locht, R. (1993). Chemical Physics Letters, 211, 161–165.
Roorda, M., Lorquet, A. J., & Lorquet, J. C. (1991). Journal of Physical Chemistry, 95, 9118–9121.
Chang J.-L., Huang C.-H., Chen S.-C., Yin T.-H., & Chen, Y.-T. (2012). Journal of Computer Chemistry. doi: 10.1002/jcc.23194.
Hemberger, P., Noller, B., Steinbauer, M., Fischer, I., Alcaraz, C., Cunha de Miranda, Br K, et al. (2010). Journal of Physical Chemistry A, 114, 11269–11276.
Koziol, L., Mozhayskiy, V. A., Braams, B. J., Bowman, J. M., & Krylov, A. I. (2009). Journal of Physical Chemistry A, 113, 7802–7809.
Willitsch, S., Hollenstein, U., & Merkt, F. (2004). Journal of Chemical Physics, 120, 1761–1774.
Köppel, H., Cederbaum, L. S., & Domcke, W. (1982). Journal of Chemical Physics, 77, 2014–2022.
Sannen, C., Raşeev, G., Galloy, C., Fauville, G., & Lorquet, J. C. (1981). Journal of Chemical Physics, 74, 2402–2412.
Chupka, W. A. (1993). Journal of Chemical Physics, 98, 4520–4531.
Bodi, A., Shuman, N. S., & Baer, T. (2009). Physical Chemistry Chemical Physics: PCCP, 11, 11013.
Morse, P. M. (1929). Physical Review, 34, 57–64.
Herzberg, G., & Teller, E. (1933). Zeitschrift fur Physikalische Chemie, Abteilung B, 21, 410.
Köppel, H., Cederbaurn, L. S., Domcke, W., & Shaik, S. S. (1983). Angewandte Chemie (International ed. in English), 22, 210–224.
Shimanouchi, T. (1972). Tables of Molecular Vibrational Frequencies, Consolidated (Vol. I. pp. 1–160). National Bureau of Standards.
Mulliken, R. S. (1955). Journal of Chemical Physics, 23, 1997–2011.
Landau, A., Khistyaev, K., Dolgikh, S., & Krylov, A. I. (2010). Journal of Chemical Physics, 132, 014109–001422.
Shao, Y., Molnar, L. F., Jung, Y., Kussmann, J., Ochsenfeld, C., Brown, S. T., Gilbert, A. T. B., Slipchenko, L. V., Levchenko, S. V., O’Neill, D. P. Jr, R. A. D., Lochan, R. C., Wang, T., Beran, G. J. O., Besley, N. A., Herbert, J. M., Lin, C. Y., Voorhis, T. V., Chien, S. H., Sodt, A., Steele, R. P., Rassolov, V. A., Maslen, P. E., Korambath, P. P., Adamson, R. D., Austin, B., Baker, J., Byrd, E. F. C., Dachsel, H., Doerksen, R. J., Dreuw, A., Dunietz, B. D., Dutoi, A. D., Furlani, T. R., Gwaltney, S. R., Heyden, A., Hirata, S., Hsu, C.-P., Kedziora, G., Khalliulin, R. Z., Klunzinger, P., Lee, A. M., Lee, M. S., Liang, W., Lotan, I., Nair, N., Peters, B., Proynov, E. I., Pieniazek, P. A., Rhee, Y. M., Ritchie, J., Rosta, E., Sherrill, C. D., Simmonett, A. C., Subotnik, J. E., III, H. L. W., Zhang, W., Bell, A. T., Chakraborty, A. K., Chipman, D. M., Keil, F. J., Warshel, A., Hehre, W. J., III, H. F. S., Kong, J., Krylov, A. I., Gill, P. M. W., & Head-Gordon, M. (2006). Physical Chemistry Chemical Physics: PCCP, 8, 3172–3191.
Koopmans, T. (1934). Physica, 1, 104–113.
Baer, T., Guerrero, A., Davalos, J. Z., & Bodi, A. (2011). Physical Chemistry Chemical Physics: PCCP, 13, 17791.
Harvey, J., Tuckett, R. P., & Bodi, A. (2012). Journal of Physical Chemistry A, 116, 9696–9705.
Bodi, A., Brannock, M. D., Sztáray, B., & Baer, T. (2012). Physical Chemistry Chemical Physics: PCCP, 14, 16047–16054.
Simpson, M. J., & Tuckett, R. P. (2012). Journal of Physical Chemistry A, 116, 8119–8129.
Simm, I. G., Danby, C. J., Eland, J. H. D., & Mansell, P. I. (1976). Journal of the Chemical Society, Faraday Transactions 2, 72, 426–434.
Smith, D. M., Tuckett, R. P., Yoxall, K. R., Codling, K., & Hatherly, P. A. (1993). Chemical Physics Letters, 216, 493–502.
Borkar, S., Sztáray, B., & Bodi, A. (2011). Physical Chemistry Chemical Physics: PCCP, 13, 13009–13020.
Gridelet, E., Dehareng, D., Locht, R., Lorquet, A. J., Lorquet, J. C., & Leyh, B. (2005). Journal of Physics Chemistry A, 109, 8225.
Ochterski, J. W., Petersson, G. A., & Montgomery, J. A. (1996). Journal of Chemical Physics, 104, 2598–2619.
Baer, T., Sztáray, B., Kercher, J. P., Lago, A. F., Bodi, A., Skull, C., et al. (2005). Physical Chemistry Chemical Physics: PCCP, 7, 1507–1513.
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Harvey, J. (2014). Threshold Photoelectron Spectra of Four Fluorinated Ethenes from the Ground Electronic State to Higher Electronic States. In: Modelling the Dissociation Dynamics and Threshold Photoelectron Spectra of Small Halogenated Molecules. Springer Theses. Springer, Cham. https://doi.org/10.1007/978-3-319-02976-4_6
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