Low-temperature activation of methane: It also works without a transition metal

Angewandte Chemie - International Edition

Volumn 45, Issue 34, 2006, Pages 5705-5708

  Schröder, Detlef ^a,b   Roithová, Jana ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

^b TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

Author keywords

Ab initio calculations; Hydrogen abstraction; Magnesium; Mass spectrometry; Methane activation

Indexed keywords

AB INITIO CALCULATIONS; HYDROGEN ABSTRACTION; METAL CARBON INTERACTION; METHANE ACTIVATION;

ACTIVATION ANALYSIS; MAGNESIUM PRINTING PLATES; MASS SPECTROMETRY; POSITIVE IONS;

METHANE;

MAGNESIUM; METHANE; TRANSITION ELEMENT;

ARTICLE; CATALYSIS; CHEMICAL MODEL; CHEMISTRY; HYDROGEN BOND; OXIDATION REDUCTION REACTION; TEMPERATURE;

CATALYSIS; HYDROGEN BONDING; MAGNESIUM; METHANE; MODELS, CHEMICAL; OXIDATION-REDUCTION; TEMPERATURE; TRANSITION ELEMENTS;

EID: 33748574966     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200601273     Document Type: Article

References (39)

1. J. H. Lunsford, Catal. Today 2000, 63, 165.
2. M. Lersch, M. Tilset, Chem. Rev. 2005, 105, 2471.
3. J. A. Labinger, J. Mol. Catal. A 2004, 220, 27.
4. J. H. Lunsford, Angew. Chem. 1995, 107, 1059;
5. Angew. Chem. Int. Ed. Engl. 1995, 34, 970.
6. K. J. Borve, L. G. M. Pettersson, J. Phys. Chem. 1991, 95, 7401.
7. A. I. Boldyrev, J. Simons, J. Phys. Chem. 1996, 100, 8023.
8. M. A. Johnson, E. V. Stefanovich, T. N. Truong, J. Phys. Chem. B 1997, 101, 3196.
9. A. d'Ercole, C. Pisani, J. Chem. Phys. 1999, 111, 9743.
10. C.-W. Hu, H.-Q. Yang, N.-B. Wong, Y.-Q. Chen, M.-C. Gong, A.-M. Tian, C. Li, W.-K. Lee, J. Phys. Chem. A 2003, 107, 2316.
11. M.-A. D. Stiakki, A. C. Tsipis, C. A. Tsipis, C. E. Xanthopoulos, New J. Chem. 1994, 18, 203.
12. D. Nachtigallová, M. Roeselová, R. Zahradník, Chem. Phys. Lett. 1997, 270, 357.
13. M. M. Kappes, R. H. Staley, J. Phys. Chem. 1981, 85, 942.
14. L. Operta, E. C. Tews, T. J. McMahon, B. S. Freiser, J. Am. Chem. Soc. 1989, 111, 9152.
15. N. F. Dalleska, P. B. Armentrout, Int. J. Mass Spectrom. Ion Processes 1994, 134, 203.
16. M. R. France, S. H. Pullins, M. A. Duncan, Chem. Phys. 1998, 239, 447.
17. Q. Chen, R. K. Milburn, A. C. Hopkinson, D. K. Bohme, J. M. Goodings, Int. J. Mass Spectrom. 1999, 184, 153.
18. A. Andersen, F. Muntean, D. Walter, C. Rue, P. B. Armentrout, J. Phys. Chem. A 2000, 104, 692.
19. J. I. Lee, D. C. Sperry, J. M. Farrar, J. Chem. Phys. 2001, 114, 6180.
20. Z. Huang, M. Chen, Q. Liu, M. Zhou, J. Phys. Chem. A 2003, 107, 11 380.
21. J. B. Fenn, M. Mann, C. K. Meng, S. F. Wong, C. M. Whitehouse, Science 1989, 246, 64.
22. For a review also addressing the various conditions of electrospray ionization, see: N. B. Cech, C. G. Enke, Mass Spectrom. Rev. 2001, 20, 362.
23. lab = 0-10 eV; all thermal reactivity studies refer to an interaction energy nominally set to 0 eV.
24. D. Schröder, T. Weiske, H. Schwarz, Int. J. Mass Spectrom. 2002, 219, 729.
25. Y.-H. Zhang, M. Y. Choi, C. K. Chan, J. Phys. Chem. A 2004, 108, 1712.
26. Z. L. Cheng, K. W. M. Siu, R. Guevremont, S. S. Berman, Org. Mass Spectrom. 1992, 27, 1370.
27. D. Schröder, M. C. Holthausen, H. Schwarz, J. Phys. Chem. B 2004, 108, 14 407.
28. +; also see ref. [28].
29. D. Schröder, H. Schwarz, S. Schenk, E. Anders, Angew. Chem. 2003, 115, 5241;
30. Angew, Chem. Int. Ed. 2003, 42, 5087.
31. I. Kretzschmar, A. Fiedler, J. N. Harvey, D. Schröder, H. Schwarz, J. Phys. Chem. A 1997, 101, 6252.
32. S. Feyel, J. Döbler, D. Schröder, J. Sauer, H. Schwarz, Angew. Chem. 2006, 118, 4797;
33. Angew. Chem. Int. Ed. 2006, 45, 4681.
34. G. Saueressig, J. N. Crowley, P. Bergamaschi, C. Bruhl, C. A. M. Brenninkmeijer, H. Fischer, J. Geophys. Res. [Atmos.] 2001, 106, 23 127.
35. See also: C. Shi, M. Xu, M. P. Rosynek, J. H. Lunsford, J. Phys. Chem. 1993, 97, 216.
36. The calculations were performed using second-order Møller-Plesset perturbation theory with 6-311 + G(2d,2p) basis sets implemented in Gaussian98 (Gaussian Inc., Pittsburgh, USA, 2002). All intermediates and transition structures were characterized by frequency analysis, and the energies include corrections for zero-point vibrations. Gaussian 98 (Revision A.7), M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, 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. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle, J. A. Pople, Gaussian, Inc., Pittsburgh, PA, 1998.
37. M. Sodupe, C. W. Bauschlicher, Jr., Chem. Phys. Lett. 1992, 195, 494.
38. C. W. Bauschlicher, Jr., S. R. Langhoff, H. Partridge, J. Chem. Phys. 1994, 101, 2644.
39. J. M. Recio, R. Pandey, A. Ayuela, A. B. Kunz, J. Chem. Phys. 1993, 98, 4783.