Binding energies of the silver ion to small oxygen-containing ligands: Determination by means of density functional theory and threshold collision-induced dissociation

Journal of Physical Chemistry A

Volumn 106, Issue 12, 2002, Pages 2908-2914

  El Aribi, Houssain ^a   Shoeib, Tamer ^a   Ling, Yun ^a   Rodriquez, Christopher F ^a   Hopkinson, Alan C ^a   Siu, K W Michael ^a  

^a YORK UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

LIGANDS;

ACETONE; BINDING ENERGY; DISSOCIATION; ENTHALPY; ETHANOL; METHANOL; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; WATER;

SILVER;

EID: 0037188033     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp014005+     Document Type: Article

References (70)

1. Petering, H.G. Pharmac. Ther. A 1976, 1, 127-130.
2. Wigley, R.A.; Brooks, R.R. In Noble Metals and Biological Systems; Brooks, R.R., Ed.; CRC Press: Boca Raton, FL, 1992; pp 277-297.
3. Nomiya, K.; Onoue, K.I.; Kondoh, Y.; Kasuga, N.C.; Nagano, H.; Oda, M.; Sakuma, S. Polyhedron 1995, 14, 1359-1367.
4. Nomiya, K.; Kondoh, Y.; Nagano, H.; Oda, M. J. Chem. Soc. Chem. Commun. 1995, 1679-1680.
5. Narula, S.S.; Mehra, R.K.; Winge, D.R.; Armitage, I.M. J. Am. Chem. Soc. 1991, 113, 9354-9358.
6. Stillman, M.J.; Presta, A.; Gui, Z.; Jiang, D.-T. In Metal-Based Drugs; Gielen, M., Ed.; Freund: London, 1994; Vol. 1, pp 375-393.
7. Gui, Z.; Green, A.R.; Kasrai, M.; Bancroft, G.M.; Stillman, M. J. Inorg. Chem. 1996, 35, 6520-6529.
8. Li, H.; Siu, K.W.M.; Guevremont, R.; Le Blanc, J.C.Y. J. Am. Soc. Mass Spectrom. 1997, 8, 781-792.
9. Lee, V.W.-M.; Li, H.; Lau, T.-C.; Siu, K.W.M. J. Am. Chem. Soc. 1998, 120, 7302-7309.
10. Chu, I.K.; Shoeib, T.; Guo, X.; Rodriquez, C.F.; Lau, T.-C.; Hopkinson, A.C.; Siu, K.W.M. J. Am. Soc. Mass Spectrom. 2001, 12, 163-175.
11. Chu, I.K.; Guo, X.; Lau, T.-C.; Siu, K.W.M. Anal. Chem. 1999, 71, 2364-2372.
12. Holland, P.M. Castleman, A.W., Jr. J. Chem. Phys. 1982, 76, 4195-4205.
13. Deng, H.; Kebarle, P. J. Phys. Chem. A 1998, 102, 571-579.
14. Ho, Y.-P.; Yang, Y.-C.; Klippenstein, S.J.; Dunbar, R.C. J. Phys. Chem. A 1997, 101, 3338-3347.
15. Ma, N.L. Chem. Phys. Lett. 1998, 297, 230-238.
16. Shoeib, T.; Milburn, R.K.; Koyanagi, G.K.; Lavrov, V.V.; Bohme, D.K.; Siu, K.W.M.; Hopkinson, A.C. Int. J. Mass Spectrom. 2000, 201, 87 - 100.
17. Ervin, K.M.; Armentrout, P.B. J. Chem. Phys. 1985, 83, 166-189.
18. Weber, M.E.; Elkind, J.L.; Armentrout, P.B. J. Chem. Phys. 1986, 84, 1521-1529.
19. Schultz, R.H.; Crellin, K.C.; Armentrout, P.B. J. Am. Chem. Soc. 1991, 113, 8590-8601.
20. Dalleska, N.F.; Honma, K.; Sunderlin, L.S.; Armentrout, P.B. J. Am. Chem. Soc. 1994, 116, 3519-3528.
21. Shvartsburg, A.A.; Ervin, K.M.; Frederick, J.H.; J. Chem. Phys. 1996, 104, 8458-8469.
22. Rodgers, M.T.; Ervin, K.M.; Armentrout, P.B. J. Chem. Phys. 1997, 106, 4499-4508.
23. Rodgers, M.T.; Armentrout, P.B. J. Chem. Phys. 1998, 109, 1787-1800.
24. Marinelli, P.J.; Squires, R.R. J. Am. Chem. Soc. 1989, 111, 4101-4103.
25. Langhoff, S.R.; Pettersson, L.G.M.; Bauschlicher, C.W.; Partridge, H. J. Chem. Phys. 1987, 86, 268-278.
26. Hay, P.J.; Wadt, W.R. J. Chem. Phys. 1985, 82, 299-310.
27. Godbout, N.; Salahub, D.R.; Andzelm, J.; Wimmer, E. Can. J. Chem. 1992, 70, 560-571.
28. Godbout, N. Ensemble de base pour la théorie de la fonctionelle de la densité - Structures moléculaires, propriétés mono-électroniques et modèles de zèolites; Ph.D. dissertation, Département de chimie, Faculté des arts et des sciences, Université de Montréal, 1996.
29. Becke, A.D. Phys. Rev. 1988, A38, 3098-3100.
30. Becke, A.D. J. Chem. Phys. 1993, 98, 5648-5652.
31. Lee, C.; Yang, W.; Parr, R.G. Phys. Rev. 1988, B37, 785-789.
32. Hariharan, P.C.; Pople, J. A. Chem. Phys. Lett. 1972, 66, 217.
33. Francl, M.M.; Pietro, W.J.; Hehre, W.J.; Binkley, J.S.; Gordon, M.S.; DeFrees, D.J.; Pople, J.A.J. Chem. Phys. 1982, 77, 3654-3665.
34. Chandrasekhar, J.; Andrade, J.G.; Schleyer, P.v.R.J. Am. Chem. Soc. 1981, 103, 5609.
35. Chandrasedkhar, J.; Spitznagel, G.W.; Schleyer, P.v.R.J. Comput. Chem. 1983, 4, 294.
36. Shoeib, T.; El Aribi, H.; Siu, K.W.M.; Hopkinson, A.C. J. Phys. Chem. A, 2001, 105, 710-719.
37. Cunje, A. Catalysis of Intramolecular Rearrangements in the Gas Phase; Ph.D. disertation, Department of Chemistry, Faculty of Pure and Applied Science, York University, 2000.
38. Bell, R.C.; Zemski, K.A.; Justes, D.R.; Castleman, A.W., Jr. J. Chem. Phys. 2001, 114, 798-811.
39. Anderson, S.G.; Blades, A.T.; Klassen, J.; Kebarle, P. Int. J. Mass Spectrom. Ion Processes 1995, 141, 217-228.
40. Klassen, J.S.; Anderson, S.G.; Blades, A.T.; Kebarle, P. J. Phys. Chem. 1996, 100, 14 218-14 227.
41. Klassen, J.S.; Kebarle, P. J. Am. Chem. Soc. 1997, 119, 6552-6563.
42. El Aribi, H.; Rodriquez, C.F.; Shoeib, T.; Ling, Y.; Hopkinson, A.C.; Siu, K.W.M. Proceedings of the 49th American Society for Mass Spectrometry Conference, Chicago, II, May 27-31, 2001, A010079.pdf.
43. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Rudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B.B. Stefanov, G. Liu, A., Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle and J.A. Pople, Gaussian 98, Revision A.5, Gaussian Inc., Pittsburgh, PA, 1998.
44. Boys, S.F.; Bernardi, F. Mol. Phys. 1970, 19, 553.
45. Douglas, D.J. J. Phys. Chem. 1982, 86, 185-191.
46. Douglas, D.J.; French, J.B. J. Am. Soc. Mass Spectrom. 1992, 3, 398-408.
47. Covey, T.; Douglas, D.J. J. Am. Soc. Mass Spectrom. 1993, 4, 616-623.
48. Goeringer D.E.; Asano, K.G.; McLuckey, S.A. Int. J. Mass Spectrom. 1999, 182/183, 275-288.
49. Asano, K.G.; Goeringer, D.E.; McLuckey, S.A. Int. J. Mass Spectrom. 1999, 185/186/187, 207-219.
50. Drahos, L.; Heeren, R.M.A.; Collette, C.; De Pauw, E.; Vékey, K. J. Mass Spectrom. 1999, 34, 1373-1379.
51. Schneider, B.B.; Chen, D.D.Y. Anal. Chem. 2000, 72, 791-799.
52. Schneider, B.B.; Douglas, D.J.; Chen, D.D.Y. J. Am. Soc. Mass Spectrom. 2001, 12, 772-779.
53. Dawson, P.H.; French, J.B.; Buckley, J.A.; Douglas, D.J.; Simmons, D. Org. Mass Spectrom. 1982, 17, 205-211.
54. Gilbert, R.G.; Smith, S.C. Theory of Unimolecular and Recombination Reactions: Blackwell Scientific Publications: Oxford, 1990.
55. Truhlar, D.G.; Garrett, B.C.; Klippenstein, S.J. J. Phys. Chem. 1996, 100, 12 771-12 800.
56. Holbrook, K.A.; Pilling, M.J.; Robertson, S.H. Unimolecular Reactions, 2nd Edition: Wiley: New York, 1996.
57. Lifshitz, C.; Wu, R.L.C.; Tiernan, T.O.; Terwilliger, D.T.J. Chem. Phys. 1978, 68, 247-260.
58. Chantry, P.J. J. Chem. Phys. 1971, 55, 2746-2759.
59. Rodgers, M.T.; Armentrout, P.B. Mass Spectrom. Rev. 2000, 19, 215-247.
60. Armentrout, P.B.; Rodgers, M.T. J. Phys. Chem. A 2000, 104, 2238-2247.
61. Guo, B.C.; Conklin, B.J.; Castleman, A.W., Jr. J. Am. Chem. Soc. 1989, 111, 6506-6510.
62. Hoyau, S.; Norrman, K.; McMahon, T.B.; Ohanessian, G. J. Am. Chem. Soc. 1999, 121, 8864-8875.
63. Dzidic, I.; Kebarle, P. J. Phys. Chem. 1970, 74, 1466-1474.
64. Burdett, N.A.; Hayhurst, A.N. J. Chem. Soc., Faraday Trans. 1 1982, 78, 2997-3007.
65. Ketvirtis, A.E.; Bohme, D.K.; Hopkinson, A.C. J. Phys. Chem. 1995, 99, 16 121-16 127.
66. Rodriquez, C.F.; Bohme, D.K.; Hopkinson, A.C. J. Phys. Chem. 1996, 100, 2942-2949.
67. Rodgers, M.T.; Armentrout, P.B. J. Phys. Chem. A 1997, 101, 1238-1249.
68. Rodgers, M.T.; Armentrout, P.B. J. Phys. Chem. A 1997, 101, 2614-2625.
69. Shoeib, T.; Gorelsky, S.I.; Lever, A.B.P.; Siu, K.W.M.; Hopkinson, A.C. Inorg. Chim. Acta 2001, 315, 236-239.
70. Lide, D.R. (Ed) In CRC Handbook of Chemistry and Physics, 82nd ed.; CRC Press: Boca Raton, 2001, pp 10-162 to 10-174.