Non-adiabatic interactions in charge transfer collisions

• Authors: Marie-Christine Bacchus-Montabonel , Emese Rozsályi , Erika Bene , Gábor Halász , Ágnes Vibók
• Languages of publication: EN

Abstracts

EN

An analysis of the charge transfer mechanism in the collision of multiply charged ions with molecular and biomolecular targets is performed, considering the non-adiabatic interactions between the molecular states involved. Collisions of doubly charged C
2+ ions on small molecular targets, CO and OH, have been investigated, together with the analysis of charge transfer between C
4+ ions on uracil and halouracil biomolecular targets. The process is studied theoretically by means of ab-initio molecular calculations followed by a semi-classical treatment of the collision dynamics. The influence of rotational couplings is discussed with regard to the collision energy. Strong anisotropic and vibration effects are pointed out.

Keywords

EN

ab-initio calculations; non-adiabatic interactions; semi-classical dynamics

• Publisher: De Gruyter Open
• Journal: Open Physics
• Year: 2013
• Volume: 11
• Issue: 9
• Pages: 1149-1156

Dates

published

1 - 9 - 2013

online

24 - 11 - 2013

Contributors

author

Marie-Christine Bacchus-Montabonel

• Institut Lumière Matière, UMR5306 Université Lyon 1-CNRS, Université de Lyon, F-69622, Villeurbanne Cedex, France

author

Emese Rozsályi

• Department of Theoretical Physics, University of Debrecen, P.O. Box 5, H-4010, Debrecen, Hungary

author

Erika Bene

• Institute of Nuclear Research, Hungarian Academy of Sciences, P.O. Box 51, H-4001, Debrecen, Hungary

author

Gábor Halász

• Department of Information Technology, University of Debrecen, P.O. Box 12, H-4010, Debrecen, Hungary

author

Ágnes Vibók

• Department of Theoretical Physics, University of Debrecen, P.O. Box 5, H-4010, Debrecen, Hungary

References

• [1] B. Lasorne, M.C. Bacchus-Montabonel, N. Vaeck, M. Desouter-Lecomte, J. Chem. Phys. 120, 1271 (2004) http://dx.doi.org/10.1063/1.1633759[Crossref]
• [2] M.C. Bacchus-Montabonel, N. Vaeck, B. Lasorne, M. Desouter-Lecomte, Chem. Phys. Lett. 374, 307 (2003) http://dx.doi.org/10.1016/S0009-2614(03)00606-7[Crossref]
• [3] N. Vaeck, M.C. Bacchus-Montabonel, E. Baloïtcha, M. Desouter-Lecomte, Phys. Rev. A 63, 042704 (2001) http://dx.doi.org/10.1103/PhysRevA.63.042704[Crossref]
• [4] M. Gargaud, F. Fraija, M.C. Bacchus-Montabonel, R. McCarroll, J. Phys. B 27, 3985 (1994) http://dx.doi.org/10.1088/0953-4075/27/17/022[Crossref]
• [5] R.A. Young Jr., J. Yarkony, J. Chem. Phys. 123, 084315 (2005) http://dx.doi.org/10.1063/1.2006094[Crossref]
• [6] D.R. Yarkony, Rev. Mod. Phys. 68, 985 (1996) http://dx.doi.org/10.1103/RevModPhys.68.985[Crossref]
• [7] B. D. Michael, P. D. O’Neill, Science 287, 1603 (2000) http://dx.doi.org/10.1126/science.287.5458.1603[Crossref]
• [8] D.E. Woon, T.H. Dunning Jr., J. Chem. Phys. 98, 1358 (1993) http://dx.doi.org/10.1063/1.464303[Crossref]
• [9] E. Baloïtcha, M. Desouter-Lecomte, M.C. Bacchus-Montabonel, N. Vaeck, J. Chem. Phys. 114, 8741 (2001) http://dx.doi.org/10.1063/1.1367378[Crossref]
• [10] M.C. Bacchus-Montabonel, C. Courbin, R. McCarroll, J. Phys. B 24, 4409 (1991) http://dx.doi.org/10.1088/0953-4075/24/20/011[Crossref]
• [11] F. Fraija, A.R. Allouche, M.C. Bacchus-Montabonel, Phys. Rev. A 49, 272 (1994) http://dx.doi.org/10.1103/PhysRevA.49.272[Crossref]
• [12] R.J. Allan, C. Courbin, P. Salas, P.J. Wahnon, J. Phys. B 23, L461 (1990) http://dx.doi.org/10.1088/0953-4075/23/16/007[Crossref]
• [13] P.C. Stancil, B. Zygelman, K. Kirby, In: F. Aumayr, H. P. Winter (Ed.), Photonic, electronic, and atomic collisions (World Scientific, Singapore, 1998) 537
• [14] E. Bene, Á. Vibók, G.J. Halász, M.C. Bacchus-Montabonel, Chem. Phys. Lett. 455, 159 (2008) http://dx.doi.org/10.1016/j.cplett.2008.02.094[Crossref]
• [15] E. Bene, P. Martínez, G.J. Halász, Á. Vibók, M.C. Bacchus-Montabonel, Phys. Rev. A 80, 012711 (2009) http://dx.doi.org/10.1103/PhysRevA.80.012711[Crossref]
• [16] M.C. Bacchus-Montabonel, Astron. Nachr. 333, 292 (2012) http://dx.doi.org/10.1002/asna.201211660[Crossref]
• [17] E. Rozsályi, E. Bene, G.J. Halász, Á. Vibók, M.C. Bacchus-Montabonel, Phys. Rev. A 81, 062711 (2010) http://dx.doi.org/10.1103/PhysRevA.81.062711[Crossref]
• [18] E. Rozsályi, E. Bene, G.J. Halász, Á. Vibók, M.C. Bacchus-Montabonel, Phys. Rev. A 83, 052713 (2011) http://dx.doi.org/10.1103/PhysRevA.83.052713[Crossref]
• [19] L.F. Errea et al., Phys. Scr. T62, 33 (1996) http://dx.doi.org/10.1088/0031-8949/1996/T62/005[Crossref]
• [20] C. von Sonntag, The Chemical Basis for radiation Biology (Taylor and Francis, London, 1987)
• [21] C. Illescas, L.F. Errea, L. Méndez, B. Pons, I. Rabadán, A. Riera, Phys. Rev. A 83, 052704 (2011) http://dx.doi.org/10.1103/PhysRevA.83.052704[Crossref]
• [22] J. de Vries, R. Hoekstra, R. Morgenstern, T. Schlathölter, J. Phys. B 35, 4373 (2002) http://dx.doi.org/10.1088/0953-4075/35/21/304[Crossref]
• [23] M.C. Bacchus-Montabonel, M. Łabuda, Y.S. Tergiman, J.E. Sienkiewicz, Phys. Rev. A 72, 052706 (2005) http://dx.doi.org/10.1103/PhysRevA.72.052706[Crossref]
• [24] A. Chenel, E. Mangaud, Y. Justum, D. Talbi, M.C. Bacchus-Montabonel, M. Desouter-Lecomte, J. Phys. B 43, 245701 (2010) http://dx.doi.org/10.1088/0953-4075/43/24/245701[Crossref]
• [25] R. Linguerri, M. Hochlaf, M.C. Bacchus-Montabonel, M. Desouter-Lecomte, Phys. Chem Chem. Phys 15, 824 (2013) http://dx.doi.org/10.1039/c2cp43576d[Crossref]
• [26] M.C. Bacchus-Montabonel, Y.S. Tergiman, Phys. Rev. A 74, 054702 (2006) http://dx.doi.org/10.1103/PhysRevA.74.054702[Crossref]
• [27] M.C. Bacchus-Montabonel, Y.S. Tergiman, Chem. Phys. Lett. 503, 45 (2011) http://dx.doi.org/10.1016/j.cplett.2011.01.013[Crossref]
• [28] M.C. Bacchus-Montabonel, Y.S. Tergiman, Phys. Chem Chem. Phys 13, 9761 (2011) http://dx.doi.org/10.1039/c1cp20503j[Crossref]
• [29] M.C. Bacchus-Montabonel, Y.S. Tergiman, D. Talbi, Phys. Rev. A 79, 012710 (2009) http://dx.doi.org/10.1103/PhysRevA.79.012710[Crossref]
• [30] M.C. Bacchus-Montabonel, J. Phys. Conf. Series 373, 012002 (2012) http://dx.doi.org/10.1088/1742-6596/373/1/012002[Crossref]
• [31] S. Zamenhof, R. DeGiovanni, S. Greer, Nature (London) 181, 827 (1959) http://dx.doi.org/10.1038/181827a0[Crossref]
• [32] P. McLaughlin et al., Int. J. Radiat. Oncol., Biol. Phys. 26, 637 (1993) http://dx.doi.org/10.1016/0360-3016(93)90281-Y[Crossref]

Identifiers

DOI

10.2478/s11534-013-0245-x