Ions interacting with planar aromatic molecules: Modeling electron transfer reactions

Journal of Chemical Physics

Volumn 138, Issue 5, 2013, Pages

  Forsberg, B O ^a   Alexander, J D ^a   Chen, T ^a   Pettersson, A T ^a   Gatchell, M ^a   Cederquist, H ^a   Zettergren, H ^a  

^a STOCKHOLM UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

ABSOLUTE CROSS SECTIONS; ARBITRARY POSITIONS; AROMATIC MOLECULES; CHARGE-EXCHANGE CROSS SECTIONS; CIRCULAR DISCS; CORONENE; DENSITY FUNCTIONAL THEORY CALCULATIONS; ELECTRON-TRANSFER REACTIONS; EXPERIMENTAL DATUM; INTERSTELLAR CHEMISTRY; ION TRAJECTORIES; MODEL INPUTS; MODEL RESULTS; MULTIPLE ELECTRON TRANSFER; MULTIPLY CHARGED; ORIENTATION DEPENDENT; PHOTOABSORPTIONS; POLARIZABILITIES; POLYCYCLIC AROMATIC HYDROCARBON (PAH); STELLAR ATMOSPHERES; TEST CASE;

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSITIONS; IONS; MOLECULES; PHOTOELECTRON SPECTROSCOPY; QUANTUM CHEMISTRY;

POLYCYCLIC AROMATIC HYDROCARBONS;

CORONENE; ION; POLYCYCLIC AROMATIC HYDROCARBON; POLYCYCLIC HYDROCARBON; PYRENE; PYRENE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON TRANSPORT; QUANTUM THEORY;

ELECTRON TRANSPORT; IONS; MODELS, MOLECULAR; POLYCYCLIC COMPOUNDS; POLYCYCLIC HYDROCARBONS, AROMATIC; PYRENES; QUANTUM THEORY;

MLCS; MLOWN;

EID: 84873667212     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4790164     Document Type: Article

References (33)

1. H. J. Cooper, K. Håkansson, and A. G. Marshall, Mass. Spectrom. Rev. 24, 201 (2005). 10.1002/mas.20014
2. P. Hvelplund, B. Liu, S. B. Nielsen, and S. Tomita, Int. J. Mass Spectrom. 225, 83 (2003). 10.1016/S1387-3806(02)01039-4
3. L. Sanche, Mass Spectrom. Rev. 21, 349 (2002). 10.1002/mas.10034
4. J. Merikanto, D. V. Spracklen, G. W. Mann, S. J. Pickering, and K. S. Carslaw, Atmos. Chem. Phys. 9, 8601 (2009). 10.5194/acp-9-8601-2009
5. A. G. G. M. Tielens, Annu. Rev. Astron. Astrophys. 46, 289 (2008). 10.1146/annurev.astro.46.060407.145211
6. See http://www.physto.se/~henning/models for a C++ program with graphical user interface.
7. J. Postma, S. Bari, R. Hoekstra, A. G. G. M. Tielens, and T. Schlathölter, Astrophys. J. 708, 435 (2010). 10.1088/0004-637X/708/1/435
8. A. Lawicki, A. I. S. Holm, P. Rousseau, M. Capron, R. Maisonny, S. Maclot, F. Seitz, H. A. B. Johansson, S. Rosén, H. T. Schmidt, H. Zettergren, B. Manil, L. Adoui, H. Cederquist, and B. A. Huber, Phys. Rev. A 83, 022704 (2011). 10.1103/PhysRevA.83.022704
9. S. Martin, L. Chen, R. Brédy, G. Montagne, C. Ortega, T. S. G. Reitsma, and J. Bernard, Phys. Rev. A 85, 052715 (2012). 10.1103/PhysRevA.85. 052715
10. G. Reitsma, H. Zettergren, S. Martin, R. Brédy, L. Chen, J. Bernard, R. Hoekstra, and T. Schlathölter, J. Phys. B 45, 215201 (2012). 10.1088/0953-4075/45/21/215201
11. A. I. S. Holm, H. Zettergren, H. A. B. Johansson, F. Seitz, S. Rosén, H. T. Schmidt, A. Lawicki, J. Rangama, P. Rousseau, M. Capron, R. Maisonny, L. Adoui, A. Méry, B. Manil, B. A. Huber, and H. Cederquist, Phys. Rev. Lett. 105, 213401 (2010). 10.1103/PhysRevLett.105.213401
12. H. A. B. Johansson, H. Zettergren, A. I. S. Holm, F. Seitz, H. T. Schmidt, P. Rousseau, A. Lawicki, M. Capron, A. Domaracka, E. Lattouf, S. Maclot, R. Maisonny, B. Manil, J.-Y. Chesnel, L. Adoui, B. A. Huber, and H. Cederquist, Phys. Rev. A 84, 043201 (2011). 10.1103/PhysRevA.84.043201
13. A. Bárány, G. Astner, H. Cederquist, H. Danared, S. Huldt, P. Hvelplund, A. Johnson, H. Knudsen, L. Liljeby, and K.-G. Rensfelt, Nucl. Instrum. Methods Phys. Res. B 9, 397 (1985). 10.1016/0168-583X(85)90332-5
14. A. Niehaus, J. Phys. B 19, 2925 (1986). 10.1088/0022-3700/19/18/021
15. A. Bárány and C. Setterlind, Nucl. Instru. Methods Phys. Res. B 98, 184 (1995). 10.1016/0168-583X(95)00101-8
16. H. Cederquist, A. Fardi, K. Haghighat, A. Langereis, H. T. Schmidt, H. Schwartz, J. C. Levin, I. A. Sellin, H. Lebius, B. Huber, M. O. Larsson, and P. Hvelplund, Phys. Rev. A 61, 022712 (2000). 10.1103/PhysRevA.61.022712
17. H. Zettergren, H. T. Schmidt, H. Cederquist, J. Jensen, S. Tomita, P. Hvelplund, H. Lebius, and B. A. Huber, Phys. Rev. A 66, 032710 (2002). 10.1103/PhysRevA.66.032710
18. J. Burgdörfer, P. Lerner, and F. W. Meyer, Phys. Rev. A 44, 5674 (1991). 10.1103/PhysRevA.44.5674
19. J. D. Jackson, Classical Electrodynamics, 2nd ed. (Wiley, 1975).
20. H. Zettergren, B. O. Forsberg, and H. Cederquist, Phys. Chem. Chem. Phys. 14, 16360 (2012). 10.1039/c2cp42884a
21. R. Friedberg, Am. J. Phys. 61, 1084 (1993). 10.1119/1.17355
22. C. Neumann, Theorie der Elektricitäts- und Wärme-Vertheilung in eniem Ringe (Halle, Verlag der Buchhandlung des Waisenhauses, 1864).
23. E. W. Hobson, Trans. Cambridge Philos. Soc. 18, 277 (1900).
24. A. Sommerfeld, Proc. London Math. Soc. 28, 395 (1896). 10.1112/plms/s1-28.1.395
25. L. Davis and J. Reitz, Am. J. Phys. 39, 1255 (1971). 10.1119/1.1976616
26. F. T. Smith, J. Chem. Phys. 34, 793 (1961). 10.1063/1.1731676
27. A. I. S. Holm, H. A. B. Johansson, H. Cederquist, and H. Zettergren, J. Chem. Phys. 134, 044301 (2011). 10.1063/1.3541252
28. A. D. Becke, J. Chem. Phys. 98, 5648 (1993). 10.1063/1.464913
29. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988). 10.1103/PhysRevB.37.785
30. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 09, Revision A.1, Gaussian, Inc., Wallingford, CT, 2009.
31. T. Schlatholter, R. Hoekstra, and R. Morgenstern, J. Phys. B 31, 1321 (1998). 10.1088/0953-4075/31/6/017
32. S. Martin, L. Chen, A. Denis, R. Bredy, J. Bernard, and J. Desesquelles, Phys. Rev. A 62, 022707 (2000). 10.1103/PhysRevA.62.022707
33. H. Zettergren and H. Cederquist, Phys. Chem. Chem. Phys. 14, 16770 (2012). 10.1039/c2cp42883k