Interpretation of the photoelectron spectra of superalkali species: Li 3O and Li3O-a)

Journal of Chemical Physics

Volumn 135, Issue 16, 2011, Pages

  Zein, S ^a   Ortiz, J V ^a  

^a AUBURN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANIONIC SPECIES; ELECTRON DETACHMENTS; EXPERIMENTAL SPECTRA; LITHIUM ATOMS; NEUTRAL SPECIES; NUCLEAR DISTRIBUTION; ORBITALS; PHOTOELECTRON SPECTRUM; TWO-PHOTON ABSORPTIONS; VIBRATIONAL DISPLACEMENT;

ABSORPTION SPECTROSCOPY; EXCITED STATES; LITHIUM; PHOTOELECTRONS; PHOTONS; TWO PHOTON PROCESSES;

PHOTOELECTRON SPECTROSCOPY;

EID: 80555129426     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3636082     Document Type: Review

References (41)

1. A. C. Reber, S. N. Khanna, and A. W. Castleman, J. Am. Chem. Soc. 129, 10189 (2007). 10.1021/ja071647n (Pubitemid 47312960)
2. G. L. Gutsev and A. I. Boldyrev, Chem. Phys. Lett. 92, 262 (1982). 10.1016/0009-2614(82)80272-8
3. M. Gutowski and J. Simons, J. Phys. Chem. 98, 8326 (1994). 10.1021/j100085a011
4. K. Yokoyama, H. Tanaka, and H. Kudo, J. Phys. Chem. A 105, 4312 (2001). 10.1021/jp0037450 (Pubitemid 35373179)
5. S. Neukermans, E. Janssens, H. Tanaka, R. E. Silverans, P. Lievens, K. Yokoyama, and H. Kudo, J. Chem. Phys. 119, 7206 (2003). 10.1063/1.1607319
6. H. Kudo, C. H. Wu, and H. R. Ihle, J. Nucl. Mat. 78, 380 (1978); 10.1016/0022-3115(78)90460-9
7. H. Kudo, Nature (London) 355, 432 (1992). 10.1038/355432a0
8. C. H. Wu, H. Kudo, and H. R. Ihle, J. Chem. Phys. 70, 1815 (1979). 10.1063/1.437656
9. P. Lievens, P. Thoen, S. Bouckaert, W. Bouwen, F. Vanhoutte, H. Weidele, R. E. Silverans, A. Navarro-Vzquez, and P. von Ragué Schleyer, J. Chem. Phys. 110, 10316 (1999). 10.1063/1.478965
10. P. V. R. Schleyer, E. U. Wuerthwein, and J. A. Pople, J. Am. Chem. Soc. 104, 5839 (1982). 10.1021/ja00385a072
11. H. Kudo, J. Nucl. Radiochem. Sci. 2, R13 (2001).
12. E. Rehm, A. I. Boldyrev, and P. V. R. Schleyer, Inorg. Chem. 31, 4834 (1992). 10.1021/ic00049a022
13. V. Bonai-Kouteck, J. Pittner, R. Pou-Amerigo, and M. Hartmann, Z. fuer Physik D 40, 445 (1997). 10.1007/s004600050248
14. R. J. Bartlett, J. Phys. Chem. 93, 1697 (1989). 10.1021/j100342a008
15. K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989). 10.1016/S0009-2614(89)87395-6
16. D. Wang, J. D. Graham, A. M. Buytendyk, and K. H. Bowen Jr., J. Chem. Phys. 135, 164308 (2011). 10.1063/1.3657854
17. W. von Niessen, J. Schirmer, and L. S. Cederbaum, Comput. Phys. Rep. 1, 57 (1984). 10.1016/0167-7977(84)90002-9
18. J. V. Ortiz, J. Chem. Phys. 104, 7599 (1996). 10.1063/1.471468
19. R. A. Chiles and C. E. Dykstra, J. Chem. Phys. 74, 4544 (1981). 10.1063/1.441643
20. N. C. Handy, J. A. Pople, M. Head-Gordon, K. Raghavachari, and G. W. Trucks, Chem. Phys. Lett. 164, 185 (1989). 10.1016/0009-2614(89)85013-4
21. J. V. Ortiz, Int. J. Quantum Chem. 75, 615 (1999). 10.1002/(SICI)1097- 461X(1999)75:4/5615::AID-QUA273.0.CO;2-T
22. J. V. Ortiz, Chem. Phys. Lett. 296, 494 (1998). 10.1016/S0009-2614(98) 01067-7
23. J. V. Ortiz, Adv. Quantum Chem. 35, 33 (1999). 10.1016/S0065-3276(08) 60454-2
24. I. G. Kaplan, B. Barbiellini, and A. Bansil, Phys. Rev. B 68, 235104 (2003). 10.1103/PhysRevB.68.235104
25. E. Weigold and I. E. McCarthy, Electron Momentum Spectroscopy (Kluwer Academic/Plenum Publishers, New York, 1999).
26. M. S. Deleuze and S. Knippenberg, J. Chem. Phys. 125, 104309 (2006). 10.1063/1.2209690 (Pubitemid 44396500)
27. J. Itatani, J. Levesque, D. Zeidler, H. Niikura, H. Pepin, J. C. Kieffer, P. B. Corkum, and D. M. Villeneuve, Nature (London) 432, 867 (2004). 10.1038/nature03183 (Pubitemid 40037143)
28. S. Patchkovskii, Z. Zhao, T. Brabec, and D. M. Villeneuve, Phys. Rev. Lett. 97, 123003 (2006). 10.1103/PhysRevLett.97.123003 (Pubitemid 44440761)
29. M. Yamazaki, T. Horio, N. Kishimoto, and K. Ohno, Phys. Rev. A 75, 032721 (2007). 10.1103/PhysRevA.75.032721 (Pubitemid 46507364)
30. R. Flores-Moreno, J. Melin, O. Dolgounitcheva, V. G. Zakrzewski, and J. V. Ortiz, Int. J. Quantum Chem. 110, 706 (2010). 10.1002/qua.22131
31. J. W. Rabalais, Principles of Ultraviolet Photoelectron Spectroscopy (John Wiley and Sons, New York, 1977).
32. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Gaussian, Inc., Wallingford, CT, 2003.
33. R. Krishnan, J. S. Binkley, R. Seeger, and J. A. Pople, J. Chem. Phys. 72, 650 (1980). 10.1063/1.438955
34. M. J. Frisch, J. A. Pople, and J. S. Binkley, J. Chem. Phys. 80, 3265 (1984). 10.1063/1.447079
35. J. Linderberg and Y. hrn, Propagators in Quantum Chemistry, 2nd ed. (John Wiley and Sons, Hoboken, New Jersey, 2004).
36. See supplementary material at http://dx.doi.org/10.1063/1.3636082 E-JCPSA6-135-016135 for the basis set effects and normal mode vibrational frequencies.
37. K. A. Peterson, D. E. Woon, and T. H. Dunning, J. Chem. Phys. 100, 7410 (1994). 10.1063/1.466884
38. G. D. Purvis and R. J. Bartlett, J. Chem. Phys. 76, 1910 (1982). 10.1063/1.443164
39. R. O. Jones, A. I. Lichtenstein, and J. Hutter, J. Chem. Phys. 106, 4566 (1997). 10.1063/1.473498
40. A. E. Reed, L. A. Curtiss, and F. Weinhold, Chem. Rev. 88, 899 (1988). 10.1021/cr00088a005
41. R. F. W. Bader, Atoms in Molecules: A Quantum Theory (Oxford University Press, New York, USA, 1994).