Geometric and electronic structures of fluorine bound silicon clusters

Journal of Chemical Physics

Volumn 108, Issue 19, 1998, Pages 8039-8058

  Kishi, Reiko ^a   Negishi, Yuichi ^a   Kawamata, Hiroshi ^a   Iwata, Suehiro ^b   Nakajima, Atsushi ^a,c   Kaya, Koji ^a,c  

^a KEIO UNIVERSITY   (Japan)

^b INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^c INST OF PHYS AND CHEMICAL RESEARCH   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CHEMICAL BONDS; ELECTRON ENERGY LEVELS; ELECTRONIC PROPERTIES; FLUORINE; IONIZATION; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; PERTURBATION TECHNIQUES; PHOTOELECTRON SPECTROSCOPY; SILICON;

ANION; ELECTRON AFFINITY; GEOMETRIC STRUCTURE; POTENTIAL ENERGY SURFACE;

ELECTRONIC STRUCTURE;

EID: 0032070664     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.475343     Document Type: Article

References (77)

1. R. Kubo, J. Phys. Soc. Jpn. 17, 975 (1962).
2. (a) X. Zhao, O. Schoenfeld, J. Kusano, Y. Aoyagi, and T. Sugano, Jpn. J. Appl. Phys., Part 2 33, L649 (1994);
3. (b) X. Zhao, O. Schoenfeld, S. Komuro, Y. Aoyagi, and T. Sugano, Phys. Rev. B 50, 18654 (1994).
4. M. F. Jarrold, Science 252, 1085 (1991).
5. M. F. Jarrold, J. Phys. Chem. 99, 11 (1995).
6. E. C. Honea, A. Ogura, C. A. Murray, K. Raghavachari, W. O. Sprenger, M. F. Jarrold, and W. L. Brown, Nature (London) 366, 42 (1993).
7. S. Li, R. J. Van Zee, W. Weltner, Jr., and K. Raghavachari, Chem. Phys. Lett. 243, 275 (1995).
8. (a) L. A. Bloomfield, R. R. Freeman, and W. L. Brown, Phys. Rev. Lett. 54, 2246 (1985);
9. (b) Y. Liu, Q.-L. Zhang, F. K. Tittel, R. F. Curl, and R. E. Smalley, J. Chem. Phys. 85, 7434 (1986);
10. (c) Q.-L. Zhang, Y. Liu, R. F. Curl, F. K. Tittel, and R. E. Smalley, ibid. 88, 1670 (1988);
11. (d) S. M. Beck and J. M. Andrews, ibid. 91, 4420 (1989).
12. (a) W. Begemann, R. Hector, Y. Y. Liu, J. Tiggesbäumker, K. H. Meiwes-Broer, and H. O. Lutz, Z. Phys. D 12, 229 (1989);
13. (b) M. F. Jarrold and E. C. Honea, J. Phys. Chem. 95, 9181 (1991).
14. (a) M. L. Mandich, V. E. Bondybey, and W. D. Reents, Jr., J. Chem. Phys. 86, 4245 (1987);
15. (b) M. L. Mandich, W. D. Reents, Jr., and K. D. Kolenbrander, Pure Appl. Chem. 62, 1653 (1990);
16. (c) M. F. Jarrold, U. Ray, and K. M. Creegan, J. Chem. Phys. 93, 224 (1990);
17. (d) J. M. Alford, R. T. Laaksonen, and R. E. Smalley, ibid. 94, 2618 (1991);
18. (e) U. Ray and M. F. Jarrold, ibid. 94, 2631 (1991).
19. K. Fuke, K. Tsukamoto, F. Misaizu, and M. Sanekata, J. Chem. Phys. 99, 7807 (1993).
20. O. Cheshnovsky, S. H. Yang, C. L. Pettiette, M. J. Craycraft, Y. Liu, and R. E. Smalley, Chem. Phys. Lett. 138, 119 (1987).
21. M. R. Nimlos, L. B. Harding, and G. B. Ellison, J. Chem. Phys. 87, 5116 (1987).
22. (a) T. N. Kitsopoulos, C. J. Chick, A. Weaver, and D. M. Neumark, J. Chem. Phys. 93, 6108 (1990);
23. (b) T. N. Kitsopoulos, C. J. Chick, Y. Zhao, and D. M. Neumark, ibid. 95, 1441 (1991);
24. (c) C. C. Arnold and D. M. Neumark, ibid. 99, 3353 (1993).
25. C. C. Arnold and D. M. Neumark, J. Chem. Phys. 100, 1797 (1994).
26. K. Raghavachari and V. Logovinsky, Phys. Rev. Lett. 55, 2853 (1985).
27. K. Raghavachari, J. Chem. Phys. 83, 3520 (1985).
28. K. Raghavachari, J. Chem. Phys. 84, 5672 (1986).
29. K. Raghavachari and C. M. Rohlfing, J. Chem. Phys. 89, 2219 (1988).
30. C. M. Rohlfing and K. Raghavachari, Chem. Phys. Lett. 167, 559 (1990).
31. K. Raghavachari and C. M. Rohlfing, Chem. Phys. Lett. 143, 428 (1988).
32. K. Raghavachari and C. M. Rohlfing, J. Chem. Phys. 94, 3670 (1991).
33. C. M. Rohlfing and K. Raghavachari, J. Chem. Phys. 96, 2114 (1992).
34. W. von Niessen and V. G. Zakrzewski, J. Chem. Phys. 98, 1271 (1993).
35. N. Binggeli and J. R. Chelikowsky, Phys. Rev. Lett. 75, 493 (1995).
36. R. Kishi, M. Gomei, A. Nakajima, S. Iwata, and K. Kaya, J. Chem. Phys. 104, 8593 (1996).
37. H. Kawamata, Y. Negishi, R. Kishi, S. Iwata, A. Nakajima, and K. Kaya, J. Chem. Phys. 105, 5369 (1996).
38. Y. Negishi, H. Kawamata, T. Hayase, M. Gomei, R. Kishi, F. Hayakawa, A. Nakajima, and K. Kaya, Chem. Phys. Lett. 269, 199 (1997).
39. A. Nakajima, T. Taguwa, K. Hoshino, T. Sugioka, T. Naganuma, F. Ono, K. Watanabe, K. Nakao, Y. Konishi, R. Kishi, and K. Kaya, Chem. Phys. Lett. 214, 22 (1993).
40. H. Handschuh, G. Ganteför, and W. Eberhardt, Rev. Sci. Instrum. 66, 3838 (1995).
41. R. Kishi, A. Nakajima, S. Iwata, and K. Kaya, Surf. Rev. Lett. 3, 365 (1996).
42. C.-G. Zhan and S. Iwata, J. Phys. Chem. A 101, 591 (1997).
43. M. Gomei, R. Kishi, A. Nakajima, S. Iwata, and K. Kaya, J. Chem. Phys. 107, 10051 (1997).
44. n (n=1-7). E-PAPS document files may be retrieved free of charge from our FTP server (http://www.aip.org/ epaps/epaps.html) or from ftp.aip.org in the directory /epaps/. For further information: e-mail: paps@aip.org or fax: 516-576-2223.
45. H. B. Schlegel, J. Chem. Phys. 84, 4530 (1986).
46. K. Raghavachari, J. Chem. Phys. 82, 4142 (1985).
47. B. S. Jursic, J. Chem. Phys. 104, 4151 (1996).
48. (a) M. Yamaguchi, T. Momose, and T. Shida, J. Chem. Phys. 93, 4211 (1990);
49. (b) J. Takahashi, T. Momose, and T. Shida, Bull. Chem. Soc. Jpn. 67, 964 (1994).
50. M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. Su, T. L. Windus, M. Dupuis, and J. A. Montgomery Jr., J. Comp. Chem. 14, 1347 (1993).
51. M. J. Frisch, G. W. Trucks, M. Head-Gordon, P. M. W. Gill, M. W. Wong, J. B. Foresman, B. G. Jhonson, H. B. Schlegel, M. A. Robb, E. S. Replogle, R. Gomperts, J. L. Andres, K. Raghavachari, J. S. Binkley, C. Gonzalez, R. L. Martin, D. J. Fox, D. J. Defrees, J. Baker, J. J. P. Stewart, and J. A. Pople, GAUSSIAN92, Revision E. 3 (Gaussian, Inc., Pittsburgh, PA, 1992).
52. M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, GAUSSIAN94, Revision B.2 (Gaussian, Inc., Pittsburgh, PA, 1995).
53. C. J. Wu, and E. A. Carter, Phys. Rev. B 45, 9065 (1992).
54. M. J. Bozack, M. J. Dresser, W. J. Choyke, P. A. Taylor, and J. T. Yates, Jr., Surf. Sci. 184, L332 (1987).
55. A. L. Johnson, M. M. Walczak, and T. E. Madey, Langmuir 4, 277 (1988).
56. Constants of Diatomic Molecules, edited by K. P. Huber and G. Herzberg (Van Nostrand Reinhold, New York, 1979).
57. N. D. Shinn, J. F. Morar, and F. R. McFeely, J. Vac. Sci. Technol. A 2, 1593 (1984).
58. (a) Analysis of Optical Spectra, NSRDES-NBS 34, edited by C. E. Moore (National Bureau of Standards, 1971);
59. (b) Handbook of Chemistry and Physics, edited by R. C. Weast (CRC, Boca Raton, 1980), Vol. 61, p. E-69.
60. A. Marijnissen and J. J. ter Meulen, Chem. Phys. Lett. 263, 803 (1996).
61. 3 is considered 7.97 eV. K. Fuke (private communication, 1997).
62. (a) H. Hotop and W. C. Lineberger, J. Phys. Chem. Ref. Data 4, 539 (1975);
63. (b) C. Blondel, P. Cacciani, C. Delsart, and R. Trainham, Phys. Rev. A 40, 3698 (1989).
64. H. H. Michels and R. H. Hobbs, Chem. Phys. Lett. 207, 389 (1993).
65. B. J. Garrison and W. A. Goddard III, J. Chem. Phys. 87, 1307 (1987).
66. G. L. Gutsev, J. Chem. Phys. 99, 3906 (1993).
67. R. A. King, V. S. Mastryukov, and H. F. Schaefer III, J. Chem. Phys. 105, 6880 (1996).
68. A. D. McLean, B. Liu, and G. S. Chandler, J. Chem. Phys. 80, 5130 (1984).
69. E. R. Fisher, B. L. Kickel, and P. B. Armentrout, J. Phys. Chem. 97, 10204 (1993).
70. (a) W. D. Allen, D. A. Horner, R. L. Dekock, R. B. Remington, and H. F. Schaefer III, Chem. Phys. 133, 11 (1989);
71. (b) Y. Xie, W. D. Allen, Y. Yamaguchi, and H. F. Schaefer III, J. Chem. Phys. 104, 7615 (1996);
72. (c) J. Hrusák and S. Iwata, ibid. 106, 4877 (1997).
73. P. J. Bruna, C. Petrongolo, R. J. Buenker, and S. D. Peyerimhoff, J. Chem. Phys. 74, 4611 (1981).
74. K. Tanaka, Y. Akiyama, and T. Tanaka, J. Mol. Spectrosc. 137, 55 (1989).
75. E. W. Ignacio and H. B. Schlegel, J. Chem. Phys. 92, 5404 (1990).
76. J. M. Robbe, J. Mol. Spectrosc. 112, 223 (1985).
77. S. P. Karna and F. Grein, J. Mol. Spectrosc. 122, 28 (1987).