Decomposition of protonated formic acid: One transition state - Two product channels

Journal of the American Society for Mass Spectrometry

Volumn 15, Issue 7, 2004, Pages 982-988

  Sekiguchi, Osamu ^a   Bakken, Vebjørn ^a   Uggerud, Einar ^a  

^a UNIVERSITY OF OSLO   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

FOURIER-TRANSFORM ION CYCLOTRON RESONANCE (FT-ICR); METASTABLE IONS (MI);

CARBOXYLIC ACIDS; CYCLOTRON RESONANCE; FOURIER TRANSFORMS; POTENTIAL ENERGY; PROBABILITY; PROTONS;

MASS SPECTROMETRY;

FORMIC ACID; PROTON; WATER;

AB INITIO CALCULATION; ARTICLE; DECOMPOSITION; FOURIER TRANSFORM MASS SPECTROMETRY; ISOMER; MASS SPECTROMETRY; MOLECULE; PROTON TRANSPORT;

EID: 3242689975     PISSN: 10440305     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jasms.2004.04.028     Document Type: Article

References (43)

1. Mackay G.I., Hopkinson A.C., Bohme D.K. J. Am. Chem. Soc. 100:1978;7460-7464
2. Holmes J.L., Mommers A.A., De Koster C., Heerma W., Terlouw J.K. Chem. Phys. Lett. 115:1985;437-440
3. Tajima S., Fujizuka A., Nakajima S., Takahashi Y., Sckiguchi O. Rapid Commun. Mass Spectrom. 14:2000;1195-1199
4. Hopkinson A.C., Yates K., Csizmadia I.G. J. Chem. Phys. 52:1970;1784-1789
5. Srikanth R., Bhanuprakash K., Srinivas R., Wong C.Y., Terlouw J.K. J. Mass Spectrom. 39:2004;303-309
6. Cheung, Y.-S.; Li, W.-K. J. Mol. Struct. (Theochem). 1995, 333, 135-145
7. Glosik J., Jordan A., Skalsky V., Lindinger W. Int. J. Mass Spectrom. Ion Processes. 129:1993;109-116
8. Olah G.A., White A.M. J. Am. Chem. Soc. 89:1967;3591
9. Minkwitz R., Schneider S., Seifert M., Hartl H. Zeitschrift für Anorganische und Allgemeine Chemie. 622:1996;1404-1410
10. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Zakrzewski V.G., Mongomery J.A., Stratmann R.E., Burant J.C., Dapprich S., Millam J.M., Daniels A.D., Kudin K.N., Strain M.C., Farkas O., Tomasi J., Barone V., Cossi M., Cammi R., Mennucci B., Pomelli C., Adamo C., Clifford S., Ochterski J., Petersson G.A., Ayala P.Y., Cui Q., Morokuma K., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Cioslowski J., Ortiz J.V., Baboul A.G., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Gomperts R., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Gonzalez C., Challacombe M., Gill P.M.W., Johnson B.G., Chen W., Wong M.W., Andres J.L., Gonzales A., Head-Gordon M., Replogle E.S., Pople J.A. Gaussian 98. 1998;Gaussian Inc., Pittsburgh, PA
11. Scott A.P., Radom L. J. Phys. Chem. 100:1996;16502
12. Gonzales C., Schlegel H.B. J. Phys. Chem. 90:1989;2154
13. Curtiss L.A., Raghavachari K., Trucks G.W., Pople J.A. J. Chem. Phys. 94:1991;7221
14. Helgaker T., Uggerud E., Jensen H.J.A. Chem. Phys. Lett. 173:1990;145-150
15. Chen W., Hase W.L., Schlegel H.B. Chem. Phys. Lett. 228:1994;436-442
16. Bakken V., Millam J.M., Schlegel H.B. J. Chem. Phys. 111:1999;8773-8777
17. Millam J.M., Bakken V., Chen W., Hase W.L., Schlegel H.B. J. Chem. Phys. 111:1999;3800-3805
18. Hase W.L. Encyclopedia of Computational Chemistry. Schleyer P.v. R., Allinger N.L., Clark T., Gasteiger J., Kollmann P.A., Schaefer H.F. III, Schreiner P.R. 1998;402-407 J. Wiley and Sons Ltd., Chichester
19. Hvistendahl G., Uggerud E. Org. Mass Spectrom. 26:1991;67-73
20. Pritchard H., Thynne J.C.J., Harrison A.G. Can. J. Chem. 46:1968;2141-2146
21. Freeman C.G., Harland P.W., McEwan M.J. Austr. J. Chem. 31:1978;2157-2160
22. Villinger H., Saxer A., Richter R., Lindinger W. Chem. Phys. Lett. 96:1978;513-516
23. Villinger H., Richter R., Lindinger W. Int. J. Mass Spectrom. Ion Phys. 51:1983;25-30
24. Villinger, H.; Saxer, A.; Bryant, H.; Lindinger, W. Proceedings of the 16th International Conference on Phenom. Ioniz. Gases; 1983, pp 572-573
25. Schalley C.A., Schroeder D., Schwarz H. Int. J. Mass Spectrom. Ion Processes. 153:1996;173-199
26. Ha T.K., Nguyen M.T. J. Phys. Chem. 88:1984;4295-4298
27. Lopez R., Rio E.D., Menendez M.I., Sordo T.L. J. Comput. Chem. 20:1999;1432-1443
28. Lias, S. G.; Rosenstock, H. M.; Deard, K.; Steiner, B.W.; Herron, J.T.; Holmes, J.H.; Levin R.D.; Liebman, J.F.; Kafafi, S.A.; Bartmess, J.E.; Hunter, E.F.; Linstrom, P.J.; Mallard, W.G. In NIST Chemistry Webbook; (http://webbook.nist.goc/chemistry), 2002.
29. Hogeveen H. Recueil des Travaux Chimiques des Pays-Bas. 87:1968;1313-1317
30. Hogeveen H., Mackor E.L., Ros P., Schachtschneider J.H. Recueil des Travaux Chimiques des Pays-Bas. 87:1968;1057-1064
31. Ros P. J. Chem. Phys. 49:1968;4902-4916
32. Benoit F.M., Harrison A.G. J. Am. Chem. Soc. 99:1977;3980-3984
33. Bagno A., Scorrano G. J. Phys. Chem. 100:1996;1536-1544
34. Windus T.L., Gordon M.S. J. Am. Chem. Soc. 113:1991;4356-4357
35. Windus T.L., Gordon M.S. Theor. Chim. Acta. 83:1992;21-30
36. Minyaev R.M., Wales D.J. J. Chem. Phys. 98:1994;7942-7944
37. Lin H.Y., Ridge D.P., Vulpius T., Uggerud E. J. Am. Chem. Soc. 116:1994;2996
38. Zwier, T. S.; Bierbaum, V. M.; Ellison, G. B.; Leone, S. R. J. Chem. Phys. 1980, 5426
39. Weisshaar J.C., Zwier T.S., Leone S.R. J. Chem. Phys. 75:1981;4873
40. Bueker H.H., Uggerud E. J. Phys. Chem. 99:1995;5945
41. Bueker H.-H., Helgaker T., Ruud K., Uggerud E. J. Phys. Chem. 100:1996;15388
42. Bakken, V. (http://folk.uio.no/vebjornb/work/hcooh2+/), 2004
43. Bakken V., Danovich D., Shaik S., Schlegel H.B. J. Am. Chem. Soc. 123:2001;130-134