Gas phase catalyzed keto-enol isomerization of cations by proton transport

International Journal of Mass Spectrometry

Volumn 179-180, Issue , 1998, Pages 293-300

  Van Der Rest, G ^a   Mourgues, P ^a   Tortajada, J ^b   Audier, H E ^a  

^a LABORATOIRE HÉTÉROÉLÉMENTS ET COORDINATION   (France)

^b CNRS   (France)

Author keywords

Catalysis proton transport; FT ICR mass spectrometry; Ion neutral complexes; Keto enol isomerization

Indexed keywords

EID: 0001618290     PISSN: 13873806     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1387-3806(98)14102-7     Document Type: Article

References (24)

1. D.K. Bohme, Int. J. Mass Spectrom. Ion Processes 115 (1992) 95.
2. W. Wagner-Redecker, P.R. Kemper, M.F. Jarrold, M.T. Bowers, J. Phys. Chem. 89 (1985) 1121.
3. S. Petrie, C.G. Freeman, M. Maut-Ner, M.J. McEwan, E.E. Ferguson, J. Am. Chem. Soc. 112 (1990) 7121.
4. H.E. Audier, D. Leblanc, P. Mourgues, T.B. McMahon, S. Hammerum, J. Chem. Soc. Chem. Commun. (1994) 2329.
5. J.W. Gauld, L. Radom, J. Fossey, H.E. Audier, J. Am. Chem. Soc. 118 (1996) 6299.
6. H.E. Audier, J. Fossey, P. Mourgues, T.B. McMahon, S. Hammerum, J. Phys. Chem. 100 (1996) 18380.
7. P.K. Chou, R.L. Smith, L.J. Chyall, H.I. Kenttämaa, J. Am. Chem. Soc. 117 (1995) 4374.
8. G. Van der Rest, P. Mourgues, J. Fossey, H.E. Audier, Int. J. Mass Spectrom. Ion Processes 160 (1997) 107.
9. H.E. Audier, F. Dahhani, T.B. McMahon, J. Mass Spectrom. 32 (1997) 201.
10. H. Becker, D. Schröder, W. Zummack, H. Schwarz, J. Am. Chem. Soc. 116 (1994) 1096.
11. G. Van der Rest, J. Chamot-Rooke, P. Mourgues, D. Leblanc, H.E. Audier, poster presented at the 14th International Mass Spectrometry Conference, Tampere, Finland, 1997.
12. J.W. Gauthier, T.R. Trautman, D.B. Jacobson, Anal. Chimica Acta 246 (1991) 211.
13. D. Berthomieu, J. Tortajada, J.P. Morizur, H.E. Audier, Org. Mass Spectrom. 26 (1991) 601.
14. J. Chamot-Rooke, B. Amekraz, J. Tortajada, P. Mourgues, H.E. Audier, J. Mass Spectrom 32 (1997) 779.
15. (a) Gaussian 94, Revision B.2, M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M. 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, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, 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, Gaussian, Inc., Pittsburgh, PA, 1995.
16. (b) C. Lee, W. Yang, R.G. Parr, Phys. Rev. B 37 (1988) 785,
17. (c) A.D. Becke, Phys. Rev. A 38 (1988) 3098.
18. This ratio can be taken as a probe for the presence of ions with structure 2 among the m/z 101 ions.
19. When the remaining m/z 133 ions after SORI are isolated and subjected to the consecutive CID experiments, their behaviour is almost identical to that of original ions 7 (m/z 59:m/z 69 = 4). This indicates that only little isomerization, if any, has taken place for the non dissociating m/z 133 ions.
20. V. Troude, G. van der Rest, P. Mourgues, H.E. Audier, J. Am. Chem. Soc. 119 (1997) 9287.
21. 3OH].
22. 3OD. Since this rather slow exchange takes place in a consecutive reaction, its contribution must be of minor importance at short reaction times when ion 1 reacts.
23. E.P. Hunter and S.G. Lias, J. Phys. Chem. Ref. Data (1997) (to be published). See NIST Chemistry WebBook (http:// webbook.nist.gov/chemistry/).
24. For instance, the interaction energy for ionized ethanol and water has been calculated to be about 22 kcal/mol (see [6]).