Structures and energetics of small lead cluster ions

Journal of Chemical Physics

Volumn 134, Issue 2, 2011, Pages

  Kelting, Rebecca ^a   Otterstätter, Robin ^a   Weis, Patrick ^a   Drebov, Nedko ^a   Ahlrichs, Reinhart ^a   Kappes, Manfred M ^a  

^a KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ANION STRUCTURES; CHARGE STATE; CLUSTER CATIONS; CLUSTER IONS; CLUSTER SIZES; COLLISION INDUCED DISSOCIATION; DIFFERENT STRUCTURE; FRAGMENTATION CHANNELS; FRAGMENTATION ENERGY; GASPHASE; HEPTAMERS; HEXAMERS; ION-MOBILITY MEASUREMENTS; MASS SPECTRA; OCTAMERS; PENTAMERS; RELATIVE STABILITIES; RELATIVISTIC DENSITY FUNCTIONAL THEORY; SPIN-ORBIT COUPLINGS; STRONG CORRELATION; TETRAMERS;

DENSITY FUNCTIONAL THEORY; MASS SPECTROMETRY; NEGATIVE IONS; OLIGOMERS; POSITIVE IONS;

ATOMS;

EID: 78751505059     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3518040     Document Type: Article

References (62)

1. G. v. Helden, M. T. Hsu, P. R. Kemper, and M. T. Bowers, J. Chem. Phys. 95, 3835 (1995).
2. G. v. Helden, N. G. Gotts, and M. T. Bowers, Nature 363, 60 (1993).
3. G. v. Helden, N. G. Gotts, and M. T. Bowers, J. Am. Chem. Soc. 115, 4363 (1993).
4. J. Hunter, J. L. Fye, andM. F. Jarrold, Science 260, 784 (1993).
5. J. Hunter, J. L. Fye, andM. F. Jarrold, J. Chem. Phys. 99, 1785 (1993).
6. K. B. Shelimov, J. M. Hunter, and M. F. Jarrold, Int. J. Mass. Spectrom. Ion Process. 138, 17 (1994).
7. G. v. Helden, P. R. Kemper, N. G. Gotts, and M. T. Bowers, Science 259, 1300 (1993).
8. Y. Tai, J. Murakami, C. Majumder, V. Kumar, H. Mizuseki, and Y. Kawazoe, J. Chem. Phys. 117, 4317 (2002).
9. C. Majumder, V. Kumar, H. Mizuseki, and Y. Kawazoe, Phys. Rev. B 64, 233405 (2001).
10. C. Majumder, V. Kumar, H. Mizuseki, and Y. Kawazoe, Phys. Rev. B 71, 035401 (2005).
11. K.-M. Ho, A. A. Shvartsburg, B. Pan, Z.-Y. Lu, C.-Z. Wang, J. G. Wacker, J. L. Fye, and M. F. Jarrold, Nature 392, 582 (1998).
12. M. F. Jarrold and J. E. Bower, J. Chem. Phys. 96, 9180 (1992).
13. R. R. Hudgins,M. Imai, M. F. Jarrold, and P. Dugourd, J. Chem. Phys. 111, 7865 (1999).
14. E. Oger, R. Kelting, A. Lechtken, D. Schooss, N. R. M. Crawford, R. Ahlrichs, and M. M. Kappes, J. Chem. Phys. 130, 124305 (2009).
15. N. Drebov, E. Oger, Th. Rapps, R. Kelting, D. Schooss, P. Weis, M. M. Kappes, and R. Ahlrichs, J. Chem. Phys.133, 224302 (2010).
16. A. Lechtken, N. Drebov, R. Ahlrichs, M. M. Kappes, and D. Schooss, J. Chem. Phys. 132, 211102 (2010).
17. M. F. Jarrold and J. E. Bower, J. Phys. Chem. 92, 5702 (1988).
18. Y. Tai, J. Murakami, C. Majumder, V. Kumar, H. Mizuseki, and Y. Kawazoe, Eur. Phys. J. D 24, 295 (2003).
19. Y. Tai and J. Murakami, Chem. Phys. Lett. 339, 9 (2001).
20. B. Waldschmidt, M. Turra, and R. Schäfer, Z. Phys. Chem. 221, 1569 (2007).
21. A. A. Shvartsburg and M. F. Jarrold, Chem. Phys. Lett. 317, 615 (2000).
22. C. Rajesh and C. Majumder, J. Chem. Phys. 126, 244704 (2007).
23. J. Mühlbach, P. Pfau, K. Sattler, and E. Recknagel, Z. Phys. B 47, 233 (1982).
24. G. Ganteför, M. Gausa, K. H. Meiwes-Broer, and H. O. Lutz, Z. Phys. D 12, 405 (1989).
25. Ch. Lüder and K. H. Meiwes-Broer, Chem. Phys. Lett. 294, 391 (1998).
26. Y. Negishi, H. Kawamata, A. Nakajima, and K. Kaya, J. Electron Spectrosc. Relat. Phenom. 106, 117 (2000).
27. L.-F. Cui, X. Huang, L.-M. Wang, J. Li, and L.-S. Wang, J. Phys. Chem. A 110, 10169 (2006).
28. M. A. Sobhy, J. U. Reveles, U. Gupta, S. N. Khanna, and A.W. Castleman, Jr., J. Chem. Phys. 130, 054304 (2009).
29. D. Dai and K. Balasubramanian, J. Chem. Phys. 96, 8345 (1992).
30. D. Dai and K. Balasubramanian, J. Phys. Chem. 96, 9236 (1992).
31. D. Dai and K. Balasubramanian, Chem. Phys. Lett. 271, 118 (1997).
32. C. Zhao and K. Balasubramanian, J. Chem. Phys. 116, 10287 (2002).
33. B. Wang, L. M. Molina, M. J. López, A. Rubio, J. A. Alonso, and M. J. Stott, Ann. Phys. 7, 107 (1998).
34. P. Weis, S. Gilb, P. Gerhardt, and M. M. Kappes, Int. J. Mass Spectrom. 216, 59 (2002).
35. G. von Helden, M.-T. Hsu, B. Gotts, and M. T. Bowers, J. Phys. Chem. 97, 8182 (1993).
36. A. A. Shvartsburg and M. F. Jarrold, Chem. Phys. Lett. 261, 86 (1996).
37. A. A. Shvartsburg, B. Liu, M. F. Jarrold, and K.-M. Ho, J. Chem. Phys. 112, 4517 (2000).
38. P. Weis, T. Bierweiler, E. Vollmer, and M. M. Kappes, J. Chem. Phys. 117, 9293 (2002).
39. A. D. Becke, Phys. Rev. A 38, 3098 (1988).
40. J. Perdew, Phys. Rev. B 33, 8822 (1986).
41. K. Eichkorn, O. Treutler, H. Öhm, M. Häser, and R. Ahlrichs, Chem. Phys. Lett. 240, 283 (1995).
42. M. Sierka, A. Hogekamp, and R. Ahlrichs, J. Chem. Phys. 118, 9136 (2003).
43. M. von Arnim and R. Ahlrichs, J. Chem. Phys. 118, 9136 (2003).
44. D. M. Deaven and K. M. Ho, Phys. Rev. Lett. 75, 288 (1995);
45. M. Sierka, J. Döbler, J. Sauer, G. Santambrogio, M. Brümmer, L. Wöste, E. Janssens, G. Meijer, and K. R. Asmis, Angew. Chem. Int. Ed. 46, 3372 (2007).
46. F. Weigend and R. Ahlrichs, Phys. Chem. Chem. Phys. 7, 3297 (2005);
47. F. Weigend and R. Ahlrichs, Phys. Chem. Chem. Phys. ibid. 8, 1057 (2006).
48. P. Deglmann, F. Furche, and R. Ahlrichs, Chem. Phys. Lett. 362, 511 (2002).
49. P. Deglmann, K. May, F. Furche, and R. Ahlrichs, Chem. Phys. Lett. 384, 103 (2004).
50. B. Metz, H. Stoll, and M. Dolg, J. Chem. Phys. 113, 2563 (2000).
51. M. K. Armbruster, F. Weigend, C. van Wüllen, and W. Klopper, Phys. Chem. Chem. Phys. 10, 1748 (2008).
52. A. Baldes and F. Weigend, private communication (2010).
53. M. K. Armbruster, W. Klopper, and F. Weigend, Phys. Chem. Chem. Phys.8, 4862 (2006).
54. J. Tao, J. P. Perdew, V. N. Staroverov, and G. E. Scuseria, Phys. Rev. Lett. 91, 146401-1 (2003).
55. F. Furche, R. Ahlrichs, P. Weis, C. Jacob, S. Gilb, T. Bierweiler, and M. M. Kappes, J. Chem. Phys. 117, 6982 (2002).
56. P. Weis, O. Welz, E. Vollmer, and M. M. Kappes, J. Chem. Phys. 120, 677 (2004).
57. B. Wang, J. Zhao, X. Chen, D. Shi, and G. Wang, Phys. Rev. A 71, 033201 (2005).
58. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B, 37, 785 (1988).
59. S. Grimme, J. Chem. Phys. 118, 9095 (2003).
60. M. P. Johansson, A. Lechtken, D. Schooss, M. M. Kappes, and F. Furche,Phys. Rev. A 77, 053202 (2008).
61. N. Drebov and R. Ahlrichs, J. Chem. Phys. 132, 164703 (2010).
62. See supplementary material at http://dx.doi.org/10.1063/1.3518040 forcomparison of relative mobilities with the data of Shvartsburg and Jarrold and calculated xyz-coordinates.