Catalyzed isomerization and decarbonylation of ionized formic acid and dihydroxycarbene

International Journal of Mass Spectrometry

Volumn 231, Issue 1, 2004, Pages 83-95

  Van Der Rest, Guillaume ^a   Mourgues, Philippe ^a   Audier, Henri E ^a  

^a LABORATOIRE HÉTÉROÉLÉMENTS ET COORDINATION   (France)

Author keywords

Ab initio calculations; Catalyzed isomerizations; FT ICR mass spectrometry; Ionized dihydroxycarbenes; Ionized formic acid

Indexed keywords

CARBENOID; CYCLOPROPANE; FORMIC ACID; PROTON; WATER;

ARTICLE; CATALYSIS; CATALYST; FOURIER TRANSFORMATION; ISOMER; ISOMERISM; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; REACTION ANALYSIS;

EID: 0347513519     PISSN: 13873806     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijms.2003.10.001     Document Type: Article

References (52)

1. (a) Becker H., Schröder D., Zummack W., Schwarz H. J. Am. Chem. Soc. 116:1994;1096
2. (b) Weiske T., Schwarz H. Chem. Ber. 116:1983;323
3. (c) Weiske T., Halim H., Schwarz H. Chem. Ber. 118:1985;495
4. (d) Schröder D., Loos J., Semialjac M., Weiske T., Schwarz H., Höne G., Thissen R., Dutuit O. Int. J. Mass Spectrom. 214:2002;105
5. (e) Loos J., Schröder D., Zummack W., Schwarz H., Thissen R., Dutuit O. Int. J. Mass Spectrom. 214:2002;155. and references cited therein.
6. Hammerum S. Mass Spectrom. Rev. 7:1988;123.
7. R.L. Smith, P.K. Chou, H.I. Kenttämaa, Structure and reactivity of selected distonic radical cations, in: T. Baer, C.-Y. Ng, I. Powis (Eds.), The Structure, Energetics and Dynamics of Organic Ions, John Wiley & Sons, Chichester, 1996, pp. 197-261.
8. H.E Audier, J. Fossey, D. Leblanc, P. Mourgues, V. Troude, in: K.R. Jennings (Ed.), Intermediate in Ionic Gas Phase Chemistry II - Distonic Ions in Fundamental and Applications of Gas Phase Ion Chemistry, 1999, pp. 1-25.
9. Audier H.E., Sozzi G., Denhez J.P. Tetrahedron. 42:1986;1179.
10. Sozzi G., Audier H.E., Milliet A. Bull. Soc. Chim. 11:1984;292.
11. Yates B.F., Radom L. J. Am. Chem. Soc. 109:1987;2910.
12. Bouchoux G., Choret N. Int. J. Mass Spectrom. 201:2000;161.
13. M.J. McEvans, Flow tube studies of small isomeric ions, in: N.G. Adams, L.M. Blabcock (Eds.), Advances in Gas Phase Ion Chemistry, vol. 1, JAI Press, Greenwich, CT, 1992.
14. Bohme D.K. Int. J. Mass Spectrom. Ion Processes. 115:1992;95.
15. H.E. Audier, P. Mourgues, G. van der Rest, J. Chamot-Rooke, H. Nedev, Adv. Mass Spectrom. (2001) 101.
16. (b) Gauld J.W., Radom L., Fossey J., Audier H.E. J. Am. Chem. Soc. 118:1996;6299
17. (c) Gauld J.W., Radom L. J. Am. Chem. Soc. 119:1997;9831.
18. (a) Chou P.K., Smith R.L., Chyall L.J., Kenttämaa H.I. J. Am. Chem. Soc. 117:1995;4374
19. (b) Audier H.E., Fossey J., Mourgues P., McMahon T.B., Hammerum S. J. Phys. Chem. 100:1996;18380
20. (c) de Visser S.P., de Koning L.J., Nibbering N.M.M. J. Am. Chem. Soc. 120:1998;1517
21. (d) Trikoupis M.A., Lavorato D.J., Terlow J.K., Ruttink P.J.A., Burgers P.C. Eur. Mass Spectrom. 5:1999;431.
22. van der Rest G., Mourgues P., Nedev H., Audier H.E. J. Am. Chem. Soc. 124:2002;5561.
23. Chamot-Rooke J., Mourgues P., van der Rest G., Audier H.E. Int. J. Mass Spectrom. 226:2003;249.
24. (a) van der Rest G., Mourgues P., Tortajada J., Audier H.E. Int. J. Mass Spectrom. Ion Processes. 179/180:1998;293
25. (b) G. van der Rest, J. Chamot-Rooke, P. Mourgues, D. Leblanc, H.E. Audier, Book of Abstracts of the 14th International Mass Spectrometry Conference, Tampere (Finland), in: E.J. Karjalainen, A.E. Hesso, J.E. Jalonen, U.P. Karjalainen (Eds.), Helsinki, 1997, p. 185
26. (c) Trikoupis M.A., Terlow J.K., Burgers P.C. J. Am. Chem. Soc. 120:1998;12131
27. (d) Chamot-Rooke J., van der Rest G., Mourgues P., Audier H.E. Int. J. Mass Spectrom. 195:2000;385
28. (e) van der Rest G., Nedev H., Chamot-Rooke J., Mourgues P., McMahon T.B., Audier H.E. Int. J. Mass Spectrom. 202:2000;161
29. (f) Mourgues P., Chamot-Rooke J., van der Rest G., Nedev H., Audier H.E., McMahon T.B. Int. J. Mass Spectrom. 210/211:2001;429
30. (g) Mourgues P., Chamot-Rooke J., Nedev H., Audier H.E. J. Mass Spectrom. 36:2001;102
31. (h) Trikoupis M.A., Burgers P.C., Ruttink P.J.A., Terlouw J.K. Int. J. Mass Spectrom. 210/211:2001;489.
32. Burger P.C., Mommers A., Holmes J.L. J. Am. Chem. Soc. 105:1983;5976.
33. Uggerud E., Koch W., Schwarz H. Int. J. Mass Spectrom. Ion Processes. 73:1986;187.
34. Hrusàk J., Gibson G.A., Schwarz H., Terlouw J.K. Int. J. Mass Spectrom. Ion Processes. 160:1997;117.
35. Sievers H.L., Grützmacher H.F., Caravatti P. Int. J. Mass Spectrom. Ion Processes. 157/158:1996;283.
36. Su T., Chesnavich W.J. J. Chem. Phys. 76:1982;5183.
37. Burgers P.C., McGibbon G.A., Terlouw J.K. Chem. Phys. Lett. 224:1994;539.
38. M.J. Frisch et al., Gaussian 98, Revision A.6, Gaussian Inc., Pittsburgh, PA (1998).
39. Scott A.P., Radom L. J. Phys. Chem. 100:1996;16502.
40. Curtiss L.A., Redfern P.C., Raghavachari K.J., Rassoloo V., Pople J.A. J. Chem. Phys. 110:1999;4703.
41. Lias S.G., Bartmess J.E., Liebman J.F., Holmes J.L., Levin R.D., Mallard W.G. J. Phys. Chem. Ref. Data. 17(Suppl.):1988;1.
42. Hunter E., Lias S.G. J. Phys. Chem. Ref. Data. 27:1998;413.
43. (a) Fender M.A., Sayed Y.M., Prochaska F.T. J. Phys. Chem. 95:1991;2811
44. (b) Laakso D., Marshall P. J. Phys. Chem. 96:1992;2471.
45. (a) Ng C.Y., Trevor D.J., Tiedemann P.W., Ceyer S.T., Kronebusch P.L., Mahan B.H., Lee Y.T. J. Phys. Chem. 67:1977;4235
46. (b) Norwood K., Ali A., Ng C.Y. J. Phys. Chem. 95:1991;8029.
47. (a) Gill P.M.N., Radom L. J. Am. Chem. Soc. 110:1988;4931
48. (b) Sodupe M., Oliva A., Bertran J. J. Am. Chem. Soc. 116:1994;8249.
49. Speranza M. Inorg. Chem. 35:1996;6140.
50. (a) Heck A., Drewello T., de Koning L.J., Nibbering N.N.M. Int. J. Mass Spectrom. Ion Processes. 100:1990;611
51. (b) de Visser S.P., de Koning L.J., Nibbering N.N.M. J. Phys. Chem. 99:1995;15444.
52. R.F.W. Bader, Atoms in Molecules. A Quantum Theory, Oxford University Press, Oxford, 1990.