Ultrafast X-ray Auger probing of photoexcited molecular dynamics

Nature Communications

Volumn 5, Issue , 2014, Pages

  McFarland, B K ^a   Farrell, J P ^a,b   Miyabe, S ^a   Tarantelli, F ^c   Aguilar, A ^d   Berrah, N ^e,h   Bostedt, C ^a   Bozek, J D ^a   Bucksbaum, P H ^a,b   Castagna, J C ^a   Coffee, R N ^a   Cryan, J P ^a,b   Fang, L ^e   Feifel, R ^f,h,i   Gaffney, K J ^a   Glownia, J M ^a,b   Martinez, T J ^a,b   Mucke, M ^f   Murphy, B ^e   Natan, A ^a   Osipov, T ^e   Petrovic V S ^a,b   Schorb, S ^a   Schultz, Th ^g,i,j   Spector, L S ^a,b   Swiggers, M ^a   Tenney, I ^a,b   Wang, S ^a,b   White, J L ^a,b   White, W ^a   Guhr M ^a   more..

^a SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

^b STANFORD UNIVERSITY   (United States)

^c UNIVERSITY OF PERUGIA   (Italy)

^d LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^e WESTERN MICHIGAN UNIVERSITY   (United States)

^f UPPSALA UNIVERSITY   (Sweden)

^g MAX BORN INSTITUT   (Germany)

^h UNIVERSITY OF CONNECTICUT   (United States)

ⁱ UNIVERSITY OF GOTHENBURG   (Sweden)

^j Ulsan National Institute of Science and Technology   (South Korea)

more..

Author keywords

[No Author keywords available]

Indexed keywords

NUCLEIC ACID BASE; THYMINE;

CHEMICAL BONDING; ELECTRON; KINETIC ENERGY; LIGHT EFFECT; MOLECULAR ANALYSIS; PARTICLE MOTION; PHOTOCHEMISTRY; X-RAY SPECTROSCOPY;

ARTICLE; AUGER ELECTRON SPECTROSCOPY; CHEMICAL BOND; ELECTRON; ENERGY CONVERSION; EXCITATION; LIGHT; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; SIMULATION; X RAY; X RAY PHOTOELECTRON SPECTROSCOPY;

EID: 84903210246     PISSN: None     EISSN: 20411723     Source Type: Journal    
DOI: 10.1038/ncomms5235     Document Type: Article

References (41)

1. Born, M. & Oppenheimer, R. Zur Quantentheorie der Molekeln. Ann. Phys. 84, 457-484 (1927).
2. Yarkony, D. Diabolical conical intersections. Rev. Mod. Phys. 68, 985-1013 (1996). (Pubitemid 126332625)
3. Domcke, W., Yarkony, D. & Koeppel, H. (eds) Conical Intersections (World Scientific, 2004).
4. Levine, B. G. & Martinez, T. J. Isomerization through conical intersections. Annu. Rev. Phys. Chem. 58, 613-634 (2007). (Pubitemid 46877603)
5. Plasser, F., Barbatti, M., Aquino, A. J. A. & Lischka, H. Electronically excited states and photodynamics: a continuing challenge. Theor. Chem. Acc. 131, 1073 (2012).
6. Tully, J. C. Perspective: nonadiabatic dynamics theory. J. Chem. Phys. 137, 22A301 (2012).
7. Kotur, M., Weinacht, T. C., Zhou, C. & Matsika, S. Strong-field molecular ionization from multiple orbitals. Phys. Rev. X 1, 021010 (2011).
8. Kotur, M. et al. Neutral-ionic state correlations in strong-field molecular ionization. Phys. Rev. Lett. 109, 203007 (2012).
9. Stolow, A., Bragg, A. E. & Neumark, D. M. Femtosecond time-resolved photoelectron spectroscopy. Chem. Rev. 104, 1719-1758 (2004).
10. Bressler, C. & Chergui, M. Ultrafast X-ray absorption spectroscopy. Chem. Rev. 104, 1781-1812 (2004).
11. Huse, N. et al. Photo-induced spin-state conversion in solvated transition metal complexes probed via time-resolved soft X-ray spectroscopy. J. Am. Chem. Soc. 132, 6809-6816 (2010).
12. Emma, P. et al. Femtosecond and subfemtosecond X-ray pulses from a self-amplified spontaneous-emission-based free-electron laser. Phys. Rev. Lett. 92, 074801 (2004).
13. Schreier, W. J. et al. Thymine dimerization in DNA is an ultrafast photoreaction. Science 315, 625-629 (2007). (Pubitemid 46214703)
14. Crespo-Hernandez, C. E., Cohen, B., Hare, P. M. & Kohler, B. Ultrafast excited-state dynamics in nucleic acids. Chem. Rev. 104, 1977-2019 (2004).
15. Kang, H., Lee, K. T., Jung, B., Ko, Y. J. & Kim, S. K. Intrinsic lifetimes of the excited state of DNA and RNA bases. J. Am. Chem. Soc. 124, 12958-12959 (2002). (Pubitemid 35247102)
16. Canuel, C. et al. Excited states dynamics of DNA and RNA bases: characterization of a stepwise deactivation pathway in the gas phase. J. Chem. Phys. 122, 074316 (2005).
17. Gonzalez-Vasquez, J., Gonzales, L., Samoylova, E. & Schultz, T. Thymine relaxation after UV irradiation: The role of tautomerization and ps* states. Phys. Chem. Chem. Phys. 11, 3927-3934 (2009).
18. Ullrich, S., Schultz, T., Zgierski, M. Z. & Stolow, A. Electronic relaxation dynamics in DNA and RNA bases studied by time-resolved photoelectron spectroscopy. Phys. Chem. Chem. Phys. 6, 2796-2801 (2004).
19. Hudock, H. R. et al. Ab initio molecular dynamics and time-resolved photoelectron spectroscopy of electronically excited uracil and thymine. J. Phys. Chem. A 111, 8500-8508 (2007). (Pubitemid 47388003)
20. Szymczak, J. J. et al. Photodynamics simulations of thymine: relaxation into the first excited singlet state. J. Phys. Chem. A 113, 12686-12693 (2009).
21. Perun, S., Sobolewski, A. L. & Domcke, W. Conical intersections in thymine. J. Phys. Chem. A 110, 13238-13244 (2006). (Pubitemid 46074924)
22. Merchan, M. et al. Unified model for the ultrafast decay of pyrimidine nucleobases. J. Chem. Phys. B 110, 26471-26476 (2006). (Pubitemid 46133367)
23. Asturiol, D., Lasorne, B., Robb, M. A. & Blancafort, L. Photophysics of the p, p* and n, p* states of thymine: MS-CASPT2 minimum-energy paths and CASSCF on-the-fly dynamics. J. Phys. Chem. A 113, 10211-10218 (2009).
24. Schirmer, J. & Barth, A. High-order approximations for the particle-particle propagator. Z. Phys. A 317, 267-279 (1984).
25. Tarantelli, F. The calculation of molecular double ionization spectra by Green's functions. Chem. Phys. 329, 11-21 (2006).
26. Rescigno, T. N., Lengsfield, B. H. & McCurdy, C. W. in Modern Electronic Structure Theory. (ed. Yarkony, D. R.) Vol. 1 (World Scientific, 1995).
27. Foresman, J. B., Head-Gordon, M., Pople, J. A. & Frisch, M. J. Toward a systematic molecular-orbital theory for excited states. J. Chem. Phys. 96, 135-149 (1992).
28. Hare, P. M., Crespo-Hernandez, C. E. & Kohler, B. Internal conversion to the electronic ground state occurs via two distinct pathways for pyrimidine bases in aqueous solution. Proc. Natl Acad. Sci. USA 104, 435-440 (2007). (Pubitemid 46123044)
29. Gustavson, T. et al. Singlet excited-state behavior of uracil and thymine in aqueous solution: a combined experimental and computational study of 11 uracil derivatives. J. Am. Chem. Soc. 128, 607-619 (2006).
30. Emma, P. et al. First lasing and operation of an ångstrom- wavelength free-electron laser. Nat. Photon. 4, 641-647 (2010).
31. Ackermann, W. et al. Operation of a free-electron laser from the extreme ultraviolet to the water window. Nat. Photon. 1, 336-342 (2007).
32. Ishikawa, T. et al. A compact X-ray free-electron laser emitting in the sub-ångström region. Nat. Photon. 6, 540-544 (2012).
33. Bozek, J. AMO instrumentation for the LCLS X-ray FEL. Eur. Phys. J. 169, 129-132 (2009).
34. Schorb, S. et al. X-ray-optical cross-correlator for gas-phase experiments at the Linac coherent light source free-electron laser. Appl. Phys. Lett. 100, 121107 (2012).
35. Hoener, M. et al. Ultraintense X-ray induced ionization, dissociation, and frustrated absorption in molecular nitrogen. Phys. Rev. Lett. 104, 253002 (2010).
36. Cryan, J. et al. Auger electron angular distribution of double core-hole states in the molecular reference frame. Phys. Rev. Lett. 105, 083004 (2010).
37. 2: beating the Auger clock. Phys. Rev. Lett. 105, 083005 (2010).
38. Young, L. et al. Femtosecond electronic response of atoms to ultra-intense X-rays. Nature 466, 56-61 (2010).
39. Doumy, G. et al. Nonlinear atomic response to intense ultrashort X-rays. Phys. Rev. Lett. 106, 083002 (2011).
40. Frasinski, L. J. et al. Dynamics of hollow atom formation in intense X-ray pulses probed by partial covariance mapping. Phys. Rev. Lett. 111, 073002 (2013).
41. 4, 5 OO Auger spectra from xenon. Phys. Scr. 6, 131-141 (1972).