HCN synthesis from methane and ammonia: Mechanisms of Pt+-mediated C-N coupling

Journal of the American Chemical Society

Volumn 121, Issue 45, 1999, Pages 10614-10625

  Diefenbach, Martin ^a   Brönstrup, Mark ^a   Aschi, Massimiliano ^a,b   Schröder, Detlef ^a   Schwarz, Helmut ^a  

^a TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

^b SAPIENZA UNIVERSITY OF ROME   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA; CARBON; HYDROGEN CYANIDE; METHANE; NITROGEN; PLATINUM;

ARTICLE; CATALYSIS; CHEMICAL BINDING; CHEMICAL REACTION; COMPLEX FORMATION; HYDROGENATION; KINETICS; MASS SPECTROMETRY; MATHEMATICAL ANALYSIS; MODEL; REACTION ANALYSIS; SYNTHESIS;

EID: 0033579187     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja992642w     Document Type: Article

References (65)

1. Hasenberg, D.; Schmidt, L. D. J. Catal. 1985, 91, 116.
2. Hasenberg, D.; Schmidt, L. D. J. Catal. 1986, 97, 156.
3. Hasenberg, D.; Schmidt, L. D. J. Catal. 1987, 104, 441.
4. Waletzko, N.; Schmidt, L. D. AIChE J. 1988, 34, 1146.
5. Somorjai, G. A. Introduction to Surface Chemistry and Catalysis; Wiley: New York, 1994.
6. Aschi, M.; Brönstrup, M.; Diefenbach, M.; Harvey, J. N.; Schröder, D.; Schwarz, H. Angew. Chem., Int. Ed. 1998, 37, 829.
7. 62-64
8. Eller, K.; Schwarz, H. Int. J. Mass Spectrom. Ion Processes 1989, 93, 243.
9. Eller, K.; Zummack, W.; Schwarz, H. J. Am. Chem. Soc. 1990, 112, 621.
10. Forbes, R. A.; Laukien, F. H.; Wronka, J. Int. J. Mass Spectrom. Ion Processes 1988, 83, 23.
11. Brönstrup, M.; Kretzschmar, I.; Schröder, D.; Schwarz, H. Helv. Chim. Acta 1998, 81, 2348.
12. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
13. Stephens, P. J.; Devlin, F. J.; Frisch, M. J.; Chabalowski, C. F. J. Phys. Chem. 1994, 98, 11632.
14. 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 E.1; Gaussian, Inc.; Pittsburgh, PA, 1995.
15. Pavlov, M.; Blomberg, M. R. A.; Siegbahn, P. E. M.; Wesendrup, R.; Heinemann, C.; Schwarz, H. J. Phys. Chem. A 1997, 101, 1567.
16. Glukhovtsev, M. N.; Bach, R. D.; Nagel, C. J. J. Phys. Chem. A 1997, 101, 316.
17. Kellogg, C. B.; Irikura, K. K. J. Phys. Chem. A 1999, 103, 1150.
18. Pyykkö, P. Chem. Rev. 1988, 88, 563. In addition, a list of 9438 (as of July 1999) references concerning the relativistic treatment of atoms and molecules may be found on the Internet at http://www.csc.fi/lul/rtam/.
19. Kaltsoyannis, N. J. Chem. Soc., Dalton Trans. 1996, 1, 1.
20. Hess, B. A.; Marian, C. M.; Peyerimhoff, S. D. Ab initio calculation of spin - orbit effects in molecules including electron correlation. In Modern Electronic Structure Theory; Yarkony, D. R., Ed.; World Scientific: Singapore, 1995; Part I, p 152.
21. Hess, B. A. Ber. Bunsen-Ges. Phys. Chem. 1997, 101, 1.
22. Irikura, K. K.; Beauchamp, J. L. J. Am. Chem. Soc. 1989, 111, 75.
23. Irikura, K. K.; Beauchamp, J. L. J. Am. Chem. Soc. 1991, 113, 2769.
24. Irikura, K. K.; Beauchamp, J. L. J. Phys. Chem. 1991, 95, 8344.
25. Wesendrup, R.; Schröder, D.; Schwarz, H. Angew. Chem., Int. Ed. Engl. 1994, 33, 1174.
26. Heinemann, C.; Hertwig, R. H.; Wesendrup, R.; Koch, W.; Schwarz, H. J. Am. Chem. Soc. 1995, 117, 495.
27. Burnier, R. C.; Cody, R. B.; Freiser, B. S. J. Am. Chem. Soc. 1982, 104, 7436.
28. Cody, R. B.; Freiser, B. S. Int. J. Mass Spectrom. Ion Phys. 1982, 41, 199.
29. Lias, S. G.; Bartmess, J. E.; Liebman, J. F.; Holmes, J. L.; Levin, R. D.; Mallard, W. G. J. Phys. Chem. Ref. Data 1988, 17, Suppl. 1. Part of the compilation is available on the Internet at http://webbook.nist.gov/ chemistry/.
30. Heinemann, C.; Wesendrup, R.; Schwarz, H. Chem. Phys. Lett. 1995, 239, 75.
31. Heinemann, C.; Schwarz, H.; Koch, W.; Dyall, K. G. J. Chem. Phys. 1996, 104, 4642.
32. Brönstrup, M.; Schröder, D.; Schwarz, H. Organometallics 1999, 18, 1939.
33. +, and a quantification of this channel is prevented.
34. Schwarz, H. Angew. Chem., Int. Ed. Engl. 1991, 30, 820.
35. Marçalo, J.; Leal, J. P.; Pires de Matos, A. Int. J. Mass Spectrom. Ion Processes 1996, 157/158, 265.
36. Freiser, B. S., Ed. Organometallic Ion Chemistry; Kluwer: Dordrecht, 1996.
37. Buckner, S. W.; Freiser, B. S. Polyhedron 1988, 7, 1583.
38. Holthausen, M. C.; Mohr, M.; Koch, W. Chem. Phys. Lett. 1995, 240, 245.
39. Tolbert, M. A.; Beauchamp, J. L. J. Phys. Chem. 1986, 90, 5015.
40. Elschenbroich, C.; Salzer, A. Organometallics: A Concise Introduction, 2nd ed.; VCH: Weinheim, 1992.
41. Wittborn, C.; Wahlgren, U. Chem. Phys. 1995, 201, 357.
42. Williams, D. H.; Hvistendahl, G. J. Am. Chem. Soc. 1974, 96, 6753.
43. Vulpius, T.; Øiestad, E. L.; Øiestad, Å. M. L.; Skaane, H.; Ruud, K.; Helgaker, T.; Uggerud, E. Eur. Mass Spectrom. 1995, 1, 121.
44. Uggerud, E.; Øiestad, Å. M. L. Int. J. Mass Spectrom. Ion Processes 1997, 167/168, 117.
45. Fleming, I. Grenzorbitale und Reaktionen organischer Verbindungen, 2nd ed.; VCH: Weinheim, 1990.
46. Herrmann, W. A.; Köcher, C. Angew. Chem. 1997, 109, 2257.
47. Heinemann, C.; Müller, T.; Apeloig, Y.; Schwarz, H. J. Am. Chem. Soc. 1996, 118, 2023.
48. Moore, C. E. Atomic Energy Levels; National Standard Reference Data Series NSRDS-NBS 35; National Bureau of Standards: Washington, DC, 1971.
49. Koch, W.; Frenking, G.; Schwarz, H. Naturwissenschaften 1984, 71, 473.
50. Palma, A.; Semprini, E.; Stefani, F.; Talamo, A. J. Chem. Phys. 1996, 105, 5091.
51. Bouchoux, G.; Nguyen, M. T.; Longevialle, P. J. Am. Chem. Soc. 1992, 114, 10000.
52. For possible variants of such stepwise dehydrogenations, see footnote 12 in ref 6.
53. Hwang, S. Y.; Schmidt, L. D. J. Catal. 1988, 114, 230.
54. Hwang, S. Y.; Kong, A. C. F.; Schmidt, L. D. J. Phys. Chem. 1989, 93, 8327.
55. Kikhtenko, A. V.; Goncharov, V. B.; Momot, K. I.; Zamaraev, K. I. Organometallics 1994, 13, 2536.
56. Carroll, J. J.; Weisshaar, J. C.; Siegbahn, P. E. M.; Wittborn, C. A. M.; Blomberg, M. R. A. J. Phys. Chem. 1995, 99, 14388.
57. Jackson, G. S.; White, F. M.; Hammill, C. L.; Clark, R. J.; Marshall, A. G. J. Am. Chem. Soc. 1997, 119, 7567.
58. Niedner-Schatteburg, G.; Bondybey, V. E.: Unpublished results.
59. Heiz, U.; Sanchez, A.; Abbet, S.; Schneider, W.-D. J. Am. Chem. Soc. 1999, 121, 3214.
60. Albert, G.; Berg, C.; Beyer, M.; Achatz, U.; Joos, S.; Niedner-Schatteburg, G.; Bondybey, V. E. Chem. Phys. Lett. 1997, 268, 235.
61. Bockholt, A.; Harding, I. S.; Nix, R. M. J. Chem. Soc., Faraday Trans. 1997, 93, 3869.
62. Su, T.; Chesnavich, W. J. J. Chem. Phys. 1982, 76, 5183.
63. Su, T. J. Chem. Phys. 1988, 88, 4102.
64. Su, T. J. Chem. Phys. 1988, 89, 5355.
65. Huber, H. P.; Herzberg, G. Constants of Diatomic Molecules; Van Nostrand-Reinhold: New York, 1979.