Ab initio studies of ultrafast x-ray scattering of the photodissociation of iodine

Journal of Chemical Physics

Volumn 133, Issue 12, 2010, Pages

  Debnarova, Andrea ^a   Techert, Simone ^a   Schmatz, Stefan ^b  

^a MAX PLANCK INSTITUTE FOR BIOPHYSICAL CHEMISTRY   (Germany)

^b UNIVERSITY OF GÖTTINGEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO STUDY; ELECTRON DENSITIES; ELECTRONIC EXCITATION; FIRST-PRINCIPLES; MOLECULAR IODINE; NON-COHERENT; REACTION DYNAMICS; TIME-DEPENDENT; ULTRA-FAST; WIDE ANGLE X-RAY SCATTERING;

CARRIER CONCENTRATION; CHEMICAL REACTIONS; ELECTRON DENSITY MEASUREMENT; INDUSTRIAL CHEMICALS; IODINE; PHOTODISSOCIATION; STRUCTURAL DYNAMICS; X RAY SCATTERING; X RAYS;

COHERENT SCATTERING;

IODINE;

ARTICLE; CHEMICAL REACTION; METHODOLOGY; PHOTOLYSIS; RADIATION EXPOSURE; X RAY DIFFRACTION;

CHEMICAL PROCESSES; IODINE; PHOTOLYSIS; X-RAY DIFFRACTION;

EID: 77957748717     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3475567     Document Type: Article

References (33)

1. T. J. Chuang, G. W. Hoffman, and K. B. Eisenthal, Chem. Phys. Lett. CHPLBC 0009-2614 25, 201 (1974). 10.1016/0009-2614(74)89117-7
2. D. F. Kelley, N. A. Abul-Haj, and D. Jang, J. Chem. Phys. JCPSA6 0021-9606 80, 4105 (1984). 10.1063/1.447291
3. M. Berg, A. L. Harris, and C. B. Harris, J. Chem. Phys. JCPSA6 0021-9606 84, 788 (1986). 10.1063/1.450578
4. N. A. Abul-Haj and D. F. Kelley, J. Chem. Phys. JCPSA6 0021-9606 84, 1335 (1986). 10.1063/1.450843
5. A. L. Harris, J. K. Brown, and C. B. Harris, Annu. Rev. Phys. Chem. ARPLAP 0066-426X 39, 341 (1988). 10.1146/annurev.pc.39.100188.002013
6. R. Neutze, R. Wouts, S. Techert, A. Kirrander, J. Davidson, M. Kocsis, F. Schotte, and M. Wulff, Phys. Rev. Lett. PRLTAO 0031-9007 87, 195508 (2001). 10.1103/PhysRevLett.87.195508
7. S. Bratos, F. Mirloup, and R. Vuilleumier, J. Chem. Phys. JCPSA6 0021-9606 116, 10615 (2002). 10.1063/1.1477923 (Pubitemid 34751161)
8. A. Plech, M. Wulff, S. Bratos, F. Mirloup, R. Vuilleumeir, F. Schotte, and A. Anfinrud, Phys. Rev. Lett. PRLTAO 0031-9007 92, 125505 (2004). 10.1103/PhysRevLett.92.125505
9. W. Quevedo, C. Peth, G. Busse, K. Mann, and S. Techert, J. Phys. Chem. B JPCBFK 1089-5647 114, 8593 (2010). 10.1021/jp101609q
10. J. Hallmann, W. Morgenroth, C. Paulmann, J. Davaasambuu, Q. Kong, M. Wulff, and S. Techert, J. Am. Chem. Soc. JACSAT 0002-7863 131, 15018 (2009). 10.1021/ja905484u
11. A. Geis, D. Block, M. Bouriau, F. Schotte, S. Techert, A. Plech, M. Wulff, and H. P. Trommsdorf, J. Lumin. JLUMA8 0022-2313 94, 493 (2001). 10.1016/S0022-2313(01)00319-2 (Pubitemid 34086112)
12. E. Rabinowitch and C. W. Wood, Trans. Faraday Soc. TFSOA4 0014-7672 32, 547 (1936). 10.1039/tf9363200547
13. D. M. P. Bado, C. Dupuy, and K. R. Wilson, J. Chem. Phys. JCPSA6 0021-9606 80, 5531 (1984). 10.1063/1.446664
14. A. L. H. M. Berg and C. B. Harris, Phys. Rev. Lett. PRLTAO 0031-9007 54, 951 (1985). 10.1103/PhysRevLett.54.951
15. R. S. Mulliken, J. Chem. Phys. JCPSA6 0021-9606 55, 288 (1971). 10.1063/1.1675521
16. G. Das and A. C. Wahl, J. Chem. Phys. JCPSA6 0021-9606 69, 53 (1978). 10.1063/1.436344
17. C. Teichteil and M. Pelissier, Chem. Phys. CMPHC2 0301-0104 180, 1 (1994). 10.1016/0301-0104(93)E0395-C (Pubitemid 24764760)
18. M. Dolg, Mol. Phys. MOPHAM 0026-8976 88, 1645 (1996).
19. J. Vigú, M. Broyer, and J. C. Lehman, J. Chem. Phys. JCPSA6 0021-9606 42, 949 (1981).
20. J. Vigú, M. Broyer, and J. C. Lehman, J. Chem. Phys. JCPSA6 0021-9606 42, 961 (1981).
21. S. Techert and S. Schmatz, Z. Phys. Chem. ZPCFAX 0942-9352 216, 575 (2002).
22. A. Debnarova, S. Techert, and S. Schmatz, J. Chem. Phys. JCPSA6 0021-9606 125, 224101 (2006). 10.1063/1.2400231 (Pubitemid 44932095)
23. B. E. Warren, X-Ray Diffraction (Addison-Wesley, Reading, 1969).
24. S. F. Boys, Proc. R. Soc. London, Ser. A PRLAAZ 0950-1207 258, 402 (1960). 10.1098/rspa.1960.0195
25. W. A. de Jong, L. Vischer, and W. C. Nieuwpoort, J. Chem. Phys. JCPSA6 0021-9606 107, 9046 (1997). 10.1063/1.475194
26. A. Becke, J. Chem. Phys. JCPSA6 0021-9606 98, 5648 (1993). 10.1063/1.464913
27. P. J. Stephens, F. J. Devlin, C. F. Chabalowski, and M. J. Frisch, J. Phys. Chem. JPCHAX 0022-3654 98, 11623 (1994). 10.1021/j100096a001
28. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Revision C.02, Gaussian, Inc., Wallingford, CT, 2004.
29. M. D. Feit, J. A. Fleck, Jr., and A. Steiger, J. Comput. Phys. JCTPAH 0021-9991 47, 412 (1982). 10.1016/0021-9991(82)90091-2
30. E. R. Peterson, C. Burth, D. A. Arms, R. W. Dunford, E. P. Kanter, B. Kassig, E. C. Landahl, S. T. Pratt, S. H. Southworth, and L. Young, Appl. Phys. Lett. APPLAB 0003-6951 92, 094106 (2008). 10.1063/1.2890846 (Pubitemid 351357464)
31. J. L. Krause, R. Whitnell, K. R. Wilson, and Y. J. Yan, J. Chem. Phys. JCPSA6 0021-9606 99, 6562 (1993). 10.1063/1.465848
32. P. J. Ho and R. Santra, Phys. Rev. A PLRAAN 1050-2947 78, 053409 (2008). 10.1103/PhysRevA.78.053409
33. B. Kohler, V. V. Yakovlev, J. Che, J. L. Krause, M. Messina, and K. R. Wilson, Phys. Rev. Lett. PRLTAO 0031-9007 74, 3360 (1995). 10.1103/PhysRevLett. 74.3360