Energetics and structure of complexes of Al+ with small organic molecules in the gas phase

Journal of Physical Chemistry A

Volumn 101, Issue 33, 1997, Pages 5885-5894

  Bouchard, F ^a   Brenner, V ^b,d   Carra, C ^b,c   Hepburn, J W ^a   Koyanagi, G K ^a   McMahon, T B ^a   Ohanessian, G ^b   Peschke, M ^a  

^a UNIVERSITY OF WATERLOO   (Canada)

^b ECOLE POLYTECHNIQUE   (France)

^c UNIVERSITY OF FRIBOURG   (Switzerland)

^d Centre d Etudes Nucléaires de Saclay   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM COMPOUNDS; CHEMICAL BONDS; COMPLEXATION; LASER ABLATION; MOLECULAR STRUCTURE;

METAL-LIGAND COMPLEXES;

BINDING ENERGY;

EID: 0031213406     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9703465     Document Type: Article

References (54)

1. For an example involving a metal cation, see: Schwarz, J.; Schwarz, H. Organometallics 1994, 13, 1518.
2. (a) Shen, M. H.; Winniczek, J. W.; Farrar, J. M. J. Phys. Chem. 1987, 91, 6447.
3. (b) Buckner, S. W.; Freiser, B. S. Polyhedron 1988, 7, 1583.
4. (c) Lessen, D. E.; Asher, R. L.; Brucat, P. J. J. Chem. Phys. 1991, 95, 1414.
5. (d) Yeh, C. S.; Pilgrim, J. S.; Willey, K. F.; Robbins, D. L.; Duncan, M. A. Int. Rev. Phys. Chem. 1994, 13, 231.
6. (a) Armentrout, P. B.; Kickel, B. L. In Organometallic Ion Chemistry; Freiser, B. S., Ed.; Kluwer: Dordrecht, 1995; pp 1-45.
7. (b) Sunderlin, L. S.; Wang, D.; Squires, R. R. J. Am. Chem. Soc. 1993, 115, 12060.
8. (c) Klassen, J. S.; Anderson, S. G.; Blades, A. T.; Kebarle, P. J. Phys. Chem. 1996, 100, 14218.
9. (d) Hop, C. E. C. A.; McMahon, T. B. J. Am. Chem. Soc. 1992, 114, 1237.
10. Dunbar, R. C.; Klippenstein, S. J.; Hrušák, J.; Stöckigt, D.; Schwarz, H. J. Am. Chem. Soc. 1996, 118, 5277.
11. (a) Kebarle, P. J. Am. Soc. Mass Spectrom. 1992, 3, 1.
12. (b) Keesee, R. G.; Castleman, A. W., Jr. J. Phys. Chem. Ref. Data 1986, 15, 1011.
13. (c) Kemper, P. R.; Hsu, M.-T.; Bowers, M. T. J. Phys. Chem. 1991, 95, 10600.
14. Armentrout, P. B. Acc. Chem. Res. 1995, 28, 430.
15. (a) Reference 5c. (b) Bushnell, J. E.; Kemper, P. R.; Bowers, M. T. J. Phys. Chem. 1993, 97, 11628.
16. (c) Kemper, P. R.; Bushnell, J.; von Helden, G.; Bowers, M. T. J. Phys. Chem. 1993, 97, 52.
17. (a) Bauschlicher, C. W., Jr.; Langhoff, S. R.; Partridge, H. In Organometallic Ion Chemistry; Freiser, B. S., Ed.; Kluwer: Dordrecht, 1995.
18. (b) Bauschlicher, C. W., Jr.; Partridge, H.; Langhoff, S. R. In Advances in Metal and Semiconductor Clusters; Duncan, M. A., Ed.; JAI Press, Inc.: Greenwich, 1992.
19. Parr, R. G.; Yang, W. Density-Functional Theory of Atoms and Molecules; International Series of Monographs on Chemistry 16; Oxford Science Publications: Oxford, 1989.
20. Uppal, J. S.; Staley, R. H. J. Am. Chem. Soc. 1982, 104, 1229, 1235.
21. Gal, J.-F.; Taft, R. W.; McIver, R. T., Jr. Spectros. Int. J. 1984, 3, 96.
22. (a) Sodupe, M.; Bauschlicher, C. W., Jr. Chem. Phys. Lett. 1991, 181, 321.
23. (b) Bauschlicher, C. W., Jr.; Bouchard, F.; Hepburn, J. W.; McMahon, T. B.; Surjasasmita, I.; Roth, L. M.; Gord, J. R.; Freiser, B. S. Int. J. Mass Spectrom. Ion Processes 1991, 109, 15.
24. (a) Stöckigt, D.; Hrušák, J. J. Phys. Chem. 1994, 98, 3675.
25. (b) Hrušák, J.; Stöckigt, D.; Schwarz, H. Chem. Phys. Lett. 1994, 221, 518.
26. (c) Stöckigt, D.; Hoithausen, M.; Koch, W.; Schwarz, H. J. Phys. Chem. 1995, 99, 5950.
27. (d) Stöckigt, D.; Hrušák, J.; Schwarz, H. Int. J. Mass Spectrom. Ion Processes 1995, 149/150, 1.
28. (e) Stöckigt, D. Chem. Phys. Lett. 1996, 250, 387.
29. Watanabe, H.; Iwata, S. J. Phys. Chem. 1996, 100, 3377.
30. (a) Smith, S. F.; Chandrasekhar, J.; Jorgensen, W. L. J. Phys. Chem. 1983, 87, 1898.
31. (b) Alcamí, M.; Mó, O.; Yáñez, M. THEOCHEM 1991, 234, 357.
32. Kebarle, P. In Techniques for the Study of Ion-Molecule Reactions; Farrar, J. M., Saunders, W. H., Jr., Eds.; John Wiley & Sons, Inc: New York, 1988, pp 221-286.
33. (a) Conceição, J.; Loh, S. K.; Lian, L.; Armentrout, P. B. J. Chem. Phys. 1996, 104, 3976.
34. (b) Wu, H-F.; Brodbelt, J. S. Inorg. Chem. 1995, 34, 615.
35. (C) Ito, O.; Horiki, Y.; Nishio, S.; Matsuzaki. A.; Sato, H. Chem. Lett. 1995, 9.
36. (d) Jordan, R.; Cole, D.; Lunney, J. G.; Mackey, K.; Givord, D. Appl. Surf. Sci. 1995, 86, 24.
37. (e) Gonzalo, J.; Vega, F.; Afonso, C. N. J. Appl. Phys. 1995, 77, 6588.
38. (f) Kang, H.; Beauchamp, J. L. J. Phys. Chem. 1985, 89, 3364.
39. (g) Cody, R. B.; Burnier, R. C.; Reents, W. D., Jr.; Carlin, T. J.; McCrery, D. A.; Lengel, R. K.; Freiser, B. S, Int. J. Mass Spectrom. Ion Processes 1980, 33, 37.
40. (a) Szulejko, J. E.; McMahon, T. B. Int. J. Mass Spectrom. Ion Processes 1991, 109, 279.
41. (b) Szulejko, J. E.; Fisher, J. J.; McMahon, T. B. Int. J. Mass Spectrom. Ion Processes 1988, 83, 147.
42. Hiraoka, K.; Mizuse, S. Chem. Phys. 1987, 118, 457.
43. (a) Claverie, P. In Intermoleular Interactions; Pullman, B., Ed.; John Wiley & Sons, Inc: New York, 1978; Chapter 2.
44. (b) Brenner, V.; Zehnacker, A.; Lahmani, F.; Millie, P. J. Phys. Chem. 1993, 97, 10570.
45. (c) Brenner, V. Thèse de l'Université de Paris-Sud, 1993.
46. (d) Brenner, V.; Millie, P. Z. Phys. D 1994, 30, 327.
47. (e) Liotard, D. Int. J. Quantum Chem. 1992, 44, 723.
48. (a) Berthomieu, D.; Brenner, V.; Ohanessian, G.; Denhez, J.-P.; Millie, P.; Audier, H. E. J. Am. Chem. Soc. 1993, 115, 2505.
49. (b) Berthomieu, D.; Brenner, V.; Ohanessian, G.; Denhez, J.-P.; Millie, P.; Audier, H. E. J. Phys. Chem. 1995, 99, 712.
50. (a) Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M.W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J.B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R.L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94, Revision C.3; Gaussian, Inc.: Pittsburgh, PA, 1995.
51. (b) Davidson, E. R.; Feller, D. Chem. Rev. 1986, 86, 681.
52. -1 as described herein.
53. When an atomic ion clusters with a polyatomic neutral molecule, an entropy change, which is less negative than that normally found for polyatomic ions, is observed. This can be understood from the fact that the net entropy change is a result of the very significant loss in translational entropy, due to the loss of three translational degrees of freedom in proceeding from two particles to one, which is compensated for to a certain degree by the gain in rotational and vibrational entropy of the cluster relative to reactants. In the case of atomic reactants there are no rotational or 4 vibrational degrees of freedom and thus, on a percentage basis, the gain in rotational entropy, due to the significant increase in moment(s) of inertia, is considerably greater. If the new vibrational modes of the cluster ion are of low frequency then a similar argument may apply to a relatively favorable gain in vibrational entropy as well.
54. Dalleska, N. F.; Tjelta, B. L.; Armentrout, P. B. J. Phys. Chem. 1994, 98, 4191.