A gas phase model for the Pt+-catalyzed coupling of methane and ammonia

Angewandte Chemie - International Edition

Volumn 37, Issue 6, 1998, Pages 829-832

  Aschi, Massimiliano ^a   Brönstrup, Mark ^a   Diefenbach, Martin ^a   Harvey, Jeremy N ^a   Schröder, Detlef ^a   Schwarz, Helmut ^a  

^a TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

Author keywords

Ammonia; Gas phase chemistry; Hydrogen cyanide; Methane; Platinum

Indexed keywords

EID: 0344404192     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1521-3773(19980403)37:6<829::AID-ANIE829>3.0.CO;2-N     Document Type: Article

References (46)

1. a) R. H. Crabtree, Chem. Rev. 1995, 95, 987;
2. b) J. H. Lunsford, Angew. Chem. 1995, 107, 1059; Angew. Chem. Int. Ed. Engl. 1995, 34, 970.
3. b) J. H. Lunsford, Angew. Chem. 1995, 107, 1059; Angew. Chem. Int. Ed. Engl. 1995, 34, 970.
4. S. G. Lias, J. E. Bartmess, J. F. Liebman, J. L. Holmes, R. D. Levin, W. G. Mallard, J. Phys. Chem. Ref. Data 1988, 17, Suppl. 1. Part of the compilation is available on Internet under http://webbook.nist.gov/ chemistry.
5. a) D. Hasenberg, L. D. Schmidt, J. Catal. 1987, 104, 441, and references therein;
6. b) N. Waletzko, L. D. Schmidt, AIChE J. 1988, 34, 1146;
7. c) A. Bockholt, I. S. Harding, R. M. Nix, J. Chem. Soc. Faraday Trans. 1997, 93, 3869;
8. d) D. Hasenberg, L. D. Schmidt, J. Catal. 1985, 91, 116.
9. Chemistry of the Platinum Group Metals (Ed.: F. R. Hartley), Elsevier, Amsterdam, 1991.
10. 3; similarly, the reactivity of subsequent product ions was examined. A complete analysis of the kinetic and thermochemical data including the secondary reactions as well as additional experiments will be published elsewhere.
11. a) K. Eller, H. Schwarz, Int. J. Mass Spectrom. Ion Processes 1989, 93, 243;
12. b) K. Eller, W. Zummack, H. Schwarz, J. Am. Chem. Soc. 1990, 112, 621.
13. + cations, see: R. Wesendrup, H. Schwarz, Angew. Chem. 1995, 107, 2176; Angew. Chem. Int. Ed. Engl. 1995, 34, 2033.
14. + cations, see: R. Wesendrup, H. Schwarz, Angew. Chem. 1995, 107, 2176; Angew. Chem. Int. Ed. Engl. 1995, 34, 2033.
15. a) K. K. Irikura, J. L. Beauchamp, J. Am. Chem. Soc. 1991, 113, 2769;
16. b) K. K. Irikura, J. L. Beauchamp, J. Phys. Chem. 1991, 95, 8344.
17. a) R. Wesendrup, D. Schröder, H. Schwarz, Angew. Chem. 1994, 106, 1232; Angew. Chem. Int. Ed. Engl. 1994, 33, 1174;
18. a) R. Wesendrup, D. Schröder, H. Schwarz, Angew. Chem. 1994, 106, 1232; Angew. Chem. Int. Ed. Engl. 1994, 33, 1174;
19. b) C. Heinemann, R. Wesendrup, H. Schwarz, Chem. Phys. Lett. 1995, 239, 75;
20. c) M. Pavlov, M. R. A. Blomberg, P. E. M. Siegbahn, R. Wesendrup, C. Heinemann, H. Schwarz, J. Phys. Chem. A 1997, 101, 1567.
21. [9c] Details of these and further computations, including transition structures, will be published elsewhere.
22. 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, 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, J. A. Pople, Gaussian 94, Revision E.1, Gaussian, Inc., Pittsburgh, PA (USA), 1995.
23. -1)
24. + + [PtCD] (10%).
25. a) A. J. Arduengo III, R. L. Harlow, M. Kline, J. Am. Chem. Soc. 1991, 113, 361;
26. b) A. J. Arduengo III, H. V. Rasika Dias, R. L. Harlow, M. Kline, ibid. 1992, 114, 5530;
27. c) W. A. Herrmann, C. Köcher, Angew. Chem., 1997, 109, 2257, Angew. Chem. Int. Ed. Engl. 1997, 36, 2162.
28. c) W. A. Herrmann, C. Köcher, Angew. Chem., 1997, 109, 2257, Angew. Chem. Int. Ed. Engl. 1997, 36, 2162.
29. C. Heinemann, T. Müller, Y. Apeloig, H. Schwarz, J. Am. Chem. Soc. 1996, 118, 2023, and references therein.
30. 2 species on Pt(111) formed in the reaction of cyanogen and dihydrogen, see: P. Millis, D. Jentz, M. Trenary, J. Am. Chem. Soc. 1997, 119, 9002.
31. For the heterogeneous catalysis of methylamine decomposition see: a) S. Y. Hwang, L. D. Schmidt, J. Catal. 1988, 114, 230; b) S. Y. Hwang, A. C. F. Kong, L. D. Schmidt, J. Phys. Chem. 1989, 93, 8327
32. For the heterogeneous catalysis of methylamine decomposition see: a) S. Y. Hwang, L. D. Schmidt, J. Catal. 1988, 114, 230; b) S. Y. Hwang, A. C. F. Kong, L. D. Schmidt, J. Phys. Chem. 1989, 93, 8327
33. a) K. K. Irikura, W. A. Goddard, III, J. Am. Chem. Soc. 1994, 116, 8733;
34. b) C. Heinemann, H. Schwarz, W. Koch, K. Dyall, J. Chem. Phys. 1996, 104, 4642.
35. It should be noted that methane is also activated by neutral platinum atoms, by platinum clusters, and by bulk platinum: a) J. J. Carroll, J. C. Weisshaar, P. E. M. Siegbahn, C. A. M. Wittborn, M. R. A. Blomberg, J. Phys. Chem. 1995, 99, 14388; b) D. J. Trevor, D. M. Cox, A. Kaldor, J. Am. Chem. Soc. 1990, 112, 3742: c) M. Valden, N. Xiang, J. Pere, M. Pessa, Appl. Surf. Sci. 1996, 99, 83.
36. It should be noted that methane is also activated by neutral platinum atoms, by platinum clusters, and by bulk platinum: a) J. J. Carroll, J. C. Weisshaar, P. E. M. Siegbahn, C. A. M. Wittborn, M. R. A. Blomberg, J. Phys. Chem. 1995, 99, 14388; b) D. J. Trevor, D. M. Cox, A. Kaldor, J. Am. Chem. Soc. 1990, 112, 3742: c) M. Valden, N. Xiang, J. Pere, M. Pessa, Appl. Surf. Sci. 1996, 99, 83.
37. It should be noted that methane is also activated by neutral platinum atoms, by platinum clusters, and by bulk platinum: a) J. J. Carroll, J. C. Weisshaar, P. E. M. Siegbahn, C. A. M. Wittborn, M. R. A. Blomberg, J. Phys. Chem. 1995, 99, 14388; b) D. J. Trevor, D. M. Cox, A. Kaldor, J. Am. Chem. Soc. 1990, 112, 3742: c) M. Valden, N. Xiang, J. Pere, M. Pessa, Appl. Surf. Sci. 1996, 99, 83.
38. For other examples of catalytic processes under FTICR conditions, see: a) M. M. Kappes, R. H. Staley, J. Am. Chem. Soc. 1981, 103, 1286; b) S. W. Buckner, B. S. Freiser, ibid. 1988, 110, 6606; c) K. K. Irikura, J. L. Beauchamp, ibid. 1989, 111, 75; d) D. Schröder, H. Schwarz, Angew. Chem. 1990, 102, 1468; Angew. Chem. Int. Ed. Engl. 1990, 29, 1433; e) P. Schnabel, M. P. Irion, K. G. Weil, J. Phys. Chem. 1991, 95, 9688; f) D. Schröder, A. Fiedler, M. F. Ryan, H. Schwarz, ibid. 1994, 98, 68; g) M. F. Ryan, D. Stöckigt, H. Schwarz, J. Am. Chem. Soc. 1994, 116, 9565; h) D. Stöckigt, H. Schwarz, Lieb. Ann. Chem. 1995, 429.
39. For other examples of catalytic processes under FTICR conditions, see: a) M. M. Kappes, R. H. Staley, J. Am. Chem. Soc. 1981, 103, 1286; b) S. W. Buckner, B. S. Freiser, ibid. 1988, 110, 6606; c) K. K. Irikura, J. L. Beauchamp, ibid. 1989, 111, 75; d) D. Schröder, H. Schwarz, Angew. Chem. 1990, 102, 1468; Angew. Chem. Int. Ed. Engl. 1990, 29, 1433; e) P. Schnabel, M. P. Irion, K. G. Weil, J. Phys. Chem. 1991, 95, 9688; f) D. Schröder, A. Fiedler, M. F. Ryan, H. Schwarz, ibid. 1994, 98, 68; g) M. F. Ryan, D. Stöckigt, H. Schwarz, J. Am. Chem. Soc. 1994, 116, 9565; h) D. Stöckigt, H. Schwarz, Lieb. Ann. Chem. 1995, 429.
40. For other examples of catalytic processes under FTICR conditions, see: a) M. M. Kappes, R. H. Staley, J. Am. Chem. Soc. 1981, 103, 1286; b) S. W. Buckner, B. S. Freiser, ibid. 1988, 110, 6606; c) K. K. Irikura, J. L. Beauchamp, ibid. 1989, 111, 75; d) D. Schröder, H. Schwarz, Angew. Chem. 1990, 102, 1468; Angew. Chem. Int. Ed. Engl. 1990, 29, 1433; e) P. Schnabel, M. P. Irion, K. G. Weil, J. Phys. Chem. 1991, 95, 9688; f) D. Schröder, A. Fiedler, M. F. Ryan, H. Schwarz, ibid. 1994, 98, 68; g) M. F. Ryan, D. Stöckigt, H. Schwarz, J. Am. Chem. Soc. 1994, 116, 9565; h) D. Stöckigt, H. Schwarz, Lieb. Ann. Chem. 1995, 429.
41. For other examples of catalytic processes under FTICR conditions, see: a) M. M. Kappes, R. H. Staley, J. Am. Chem. Soc. 1981, 103, 1286; b) S. W. Buckner, B. S. Freiser, ibid. 1988, 110, 6606; c) K. K. Irikura, J. L. Beauchamp, ibid. 1989, 111, 75; d) D. Schröder, H. Schwarz, Angew. Chem. 1990, 102, 1468; Angew. Chem. Int. Ed. Engl. 1990, 29, 1433; e) P. Schnabel, M. P. Irion, K. G. Weil, J. Phys. Chem. 1991, 95, 9688; f) D. Schröder, A. Fiedler, M. F. Ryan, H. Schwarz, ibid. 1994, 98, 68; g) M. F. Ryan, D. Stöckigt, H. Schwarz, J. Am. Chem. Soc. 1994, 116, 9565; h) D. Stöckigt, H. Schwarz, Lieb. Ann. Chem. 1995, 429.
42. For other examples of catalytic processes under FTICR conditions, see: a) M. M. Kappes, R. H. Staley, J. Am. Chem. Soc. 1981, 103, 1286; b) S. W. Buckner, B. S. Freiser, ibid. 1988, 110, 6606; c) K. K. Irikura, J. L. Beauchamp, ibid. 1989, 111, 75; d) D. Schröder, H. Schwarz, Angew. Chem. 1990, 102, 1468; Angew. Chem. Int. Ed. Engl. 1990, 29, 1433; e) P. Schnabel, M. P. Irion, K. G. Weil, J. Phys. Chem. 1991, 95, 9688; f) D. Schröder, A. Fiedler, M. F. Ryan, H. Schwarz, ibid. 1994, 98, 68; g) M. F. Ryan, D. Stöckigt, H. Schwarz, J. Am. Chem. Soc. 1994, 116, 9565; h) D. Stöckigt, H. Schwarz, Lieb. Ann. Chem. 1995, 429.
43. For other examples of catalytic processes under FTICR conditions, see: a) M. M. Kappes, R. H. Staley, J. Am. Chem. Soc. 1981, 103, 1286; b) S. W. Buckner, B. S. Freiser, ibid. 1988, 110, 6606; c) K. K. Irikura, J. L. Beauchamp, ibid. 1989, 111, 75; d) D. Schröder, H. Schwarz, Angew. Chem. 1990, 102, 1468; Angew. Chem. Int. Ed. Engl. 1990, 29, 1433; e) P. Schnabel, M. P. Irion, K. G. Weil, J. Phys. Chem. 1991, 95, 9688; f) D. Schröder, A. Fiedler, M. F. Ryan, H. Schwarz, ibid. 1994, 98, 68; g) M. F. Ryan, D. Stöckigt, H. Schwarz, J. Am. Chem. Soc. 1994, 116, 9565; h) D. Stöckigt, H. Schwarz, Lieb. Ann. Chem. 1995, 429.
44. For other examples of catalytic processes under FTICR conditions, see: a) M. M. Kappes, R. H. Staley, J. Am. Chem. Soc. 1981, 103, 1286; b) S. W. Buckner, B. S. Freiser, ibid. 1988, 110, 6606; c) K. K. Irikura, J. L. Beauchamp, ibid. 1989, 111, 75; d) D. Schröder, H. Schwarz, Angew. Chem. 1990, 102, 1468; Angew. Chem. Int. Ed. Engl. 1990, 29, 1433; e) P. Schnabel, M. P. Irion, K. G. Weil, J. Phys. Chem. 1991, 95, 9688; f) D. Schröder, A. Fiedler, M. F. Ryan, H. Schwarz, ibid. 1994, 98, 68; g) M. F. Ryan, D. Stöckigt, H. Schwarz, J. Am. Chem. Soc. 1994, 116, 9565; h) D. Stöckigt, H. Schwarz, Lieb. Ann. Chem. 1995, 429.
45. For other examples of catalytic processes under FTICR conditions, see: a) M. M. Kappes, R. H. Staley, J. Am. Chem. Soc. 1981, 103, 1286; b) S. W. Buckner, B. S. Freiser, ibid. 1988, 110, 6606; c) K. K. Irikura, J. L. Beauchamp, ibid. 1989, 111, 75; d) D. Schröder, H. Schwarz, Angew. Chem. 1990, 102, 1468; Angew. Chem. Int. Ed. Engl. 1990, 29, 1433; e) P. Schnabel, M. P. Irion, K. G. Weil, J. Phys. Chem. 1991, 95, 9688; f) D. Schröder, A. Fiedler, M. F. Ryan, H. Schwarz, ibid. 1994, 98, 68; g) M. F. Ryan, D. Stöckigt, H. Schwarz, J. Am. Chem. Soc. 1994, 116, 9565; h) D. Stöckigt, H. Schwarz, Lieb. Ann. Chem. 1995, 429.
46. For other examples of catalytic processes under FTICR conditions, see: a) M. M. Kappes, R. H. Staley, J. Am. Chem. Soc. 1981, 103, 1286; b) S. W. Buckner, B. S. Freiser, ibid. 1988, 110, 6606; c) K. K. Irikura, J. L. Beauchamp, ibid. 1989, 111, 75; d) D. Schröder, H. Schwarz, Angew. Chem. 1990, 102, 1468; Angew. Chem. Int. Ed. Engl. 1990, 29, 1433; e) P. Schnabel, M. P. Irion, K. G. Weil, J. Phys. Chem. 1991, 95, 9688; f) D. Schröder, A. Fiedler, M. F. Ryan, H. Schwarz, ibid. 1994, 98, 68; g) M. F. Ryan, D. Stöckigt, H. Schwarz, J. Am. Chem. Soc. 1994, 116, 9565; h) D. Stöckigt, H. Schwarz, Lieb. Ann. Chem. 1995, 429.