Long-lived, multiply charged diatomic TiFn+ ions (n = 1-3)

Journal of Physical Chemistry A

Volumn 102, Issue 21, 1998, Pages 3639-3642

  Schröder, Detlef ^a   Harvey, Jeremy N ^a,b   Schwarz, Helmut ^a  

^a TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

^b HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0347723651     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9807827     Document Type: Article

References (43)

1. (a) Ast, T. Adv. Mass Spectrom. A 1980, 8, 555.
2. (b) Lammertsma, K.; Schleyer, P. v. R.; Schwarz, H. Angew. Chem., Int. Ed. Engl. 1989, 28, 1321.
3. (c) Schwarz, H. Pure Appl. Chem. 1989, 61, 685.
4. (d) Wong, M. W.; Nobes, R. H.; Bouma, W. J.; Radom, L. J. Chem. Phys. 1989, 91, 2971.
5. (e) Roth, L. M.; Freiser, B. S. Mass Spectrom. Rev. 1991, 10, 303.
6. (f) Mathur, D. Phys. Rep. 1993, 225, 193.
7. Hotokka, M.; Kindstedt, T.; Pyykkö, P.; Roos, B. O. Mol. Phys. 1984, 52, 23 and references therein.
8. If not stated otherwise, ionization energies were taken from: Moore, C. E. Atomic Energy Levels. National Bureau of Standards, NSRDS-NBS 35; Washington, DC, 1971.
9. (a) Kolbuszewski, M.; Wright, J. S. Chem. Phys. Lett. 1994, 218, 338.
10. (b) Dai, P. Q.; McCullough-Catalano. S.; Bolton, M.; Jones, A. D.; Lebrilla, C. B. Int. J. Mass Spectrom. Ion Processes 1995, 144, 67.
11. (a) Kolbuszewski, M.; Wright, J. S. J. Phys. Chem. 1995, 99, 3455.
12. (b) Heinemann, D.; Schröder, D.; Schwarz, H. J. Phys. Chem. 1995, 99, 16195.
13. For a survey, see: Kolbuszewski, M.; Wright, J. S.; Buenker, R. J. J. Chem. Phys. 1995, 102, 7519.
14. For recent theoretical studies of diatomic trications and leading references to earlier work, see: (a) Bruna, P. J.; Wright, J. S. J. Phys. B: At. Mol. Opt. Phys. 1993, 26, 1819. (b) Mahwhinney, R. C.; Bruna, P. J.; Grein, F. J. Phys. B: At. Mol. Opt. Phys. 1995, 28, 4015.
15. For recent theoretical studies of diatomic trications and leading references to earlier work, see: (a) Bruna, P. J.; Wright, J. S. J. Phys. B: At. Mol. Opt. Phys. 1993, 26, 1819. (b) Mahwhinney, R. C.; Bruna, P. J.; Grein, F. J. Phys. B: At. Mol. Opt. Phys. 1995, 28, 4015.
16. (a) Müller, E. W.; Tsong, T. T. Prog. Surf. Sci. 1973, 4, 1.
17. (b) Tsong, T. T.; Kinkus, T. J. Phys. Scr. 1983, T4, 201.
18. Dolg, M.; Stoll, H.; Preuss, H. J. Mol. Struct.: THEOCHEM 1991, 251, 327.
19. Hastie, S. W.; Margrave, J. L. In Fluorine Chemistry Reviews; Tarrant, P., Ed.; Marcel Dekker: New York, 1968: Vol. 2, p 102.
20. (a) Srinivas, R.; Sülzle, D.; Weiske, T.; Schwarz, H. Int. J. Mass Spectrom. Ion Processes 1991,107, 368.
21. (b) Srinivas, R.; Sülzle, D.; Koch, W.; DePuy, C. H.; Schwarz, H. J. Am. Chem. Soc. 1991, 113, 5970.
22. (a) Ast, T.; Proctor, C. J.; Porter, C. J.; Beynon Int. J. Mass Spectrom. Ion Phys. 1981, 40, 111.
23. (b) Proctor, C. J.; Porter, C. J.; Ast, T.; Beynon, J. H. Int. J. Mass Spectrom. Ion Phys. 1982, 41. 251.
24. (c) Porter, C. J.; Proctor, C. J.; Ast, T.; Beynon, J. H. Int. J. Mass Spectrom. Ion Phys. 1982, 41, 265.
25. (d) Rabrenovic, M.; Ast, T.; Beynon, J. H. Int. J. Mass Spectrom. Ion Processes 1984, 61, 31.
26. For examples and leading references, see ref 5b and 12.
27. MOLPRO 96.4 is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from J. Almlöf, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. Peterson, R. Pitzer, A. J. Stone, and P. R. Taylor.
28. 3Φ ground state. The latter was found to lie 9.5 mH lower than the mixture in the region of the minimum, and this value was used as a correction to the CCSD(T) results.
29. Pou-Amerigo, R.; Merchan, M.: Nebot-Gil, I.; Widmark, P. O.; Roos, B. O. Theor. Chim. Acta 1995, 92, 149.
30. Widmark, P. O.; Malmqvist, P. A.; Roos, B. O. Theor. Chim. Acta 1990, 77, 291.
31. Dunning, T. H., Jr. J. Chem. Phys. 1989, 90, 1007.
32. Andrae, D.; Haeusserman, U.; Dolg, M.; Stoll, H.; Preuss, H. Theor. Chim. Acta 1990, 77, 123.
33. (a) Fiedler, A.; Schröder, D.; Shaik, S.; Schwarz, H. J. Am. Chem. Soc. 1994, 116, 10734.
34. (b) Shaik, S.; Danovich, D.; Fiedler, A.; Schröder, D.; Schwarz, H. Helv. Chim. Acta 1995, 78, 1393.
35. (a) Dyke, J. M.; Gravenor, B. W. J.; Hastings, M. P.; Morris, A. J. Phys. Chem. 1985, 89, 4613.
36. (b) Carter, E. A.; Goddard, W. A., III. J. Phys. Chem. 1988, 92, 2109.
37. Kaledin, L. A.; Heaven, M. C. J. Chem. Phys. 1997, 107, 7020.
38. +-F) ≈ 6.5 eV is given.
39. McCullough-Catalano, S.; Lebrilla, C. B. J. Am. Chem. Soc. 1993, 115, 1441.
40. Safvan, C. P.; Krishnamurty, M.; Mathur, D. J. Phys. B: At. Mol. Opt. Phys. 1993, 26, L837.
41. n+ (m = 0-2; n= 0, 1), see: Hildenbrand, D. L.; Lau, K. H. J. Chem. Phys. 1997, 107, 6349.
42. 2P) = 40.6 eV.
43. 4, the solid probe of our mass spectrometer could simply not reach the temperature required for evaporation.