| Publikationstyp: | Beitrag in wissenschaftlicher Zeitschrift |
| Art der Begutachtung: | Peer review (Publikation) |
| Titel: | C-H activation in reactions of protonated hydrogen peroxide with propane |
| Autor/-in: | Adlhart, Christian Uggerud, Einar |
| DOI: | 10.1016/j.ijms.2006.05.018 |
| Erschienen in: | International Journal of Mass Spectrometry |
| Band(Heft): | 254 |
| Heft: | 3 |
| Seite(n): | 189 |
| Seiten bis: | 196 |
| Erscheinungsdatum: | 1-Aug-2006 |
| Verlag / Hrsg. Institution: | Elsevier |
| Verlag / Hrsg. Institution: | Amsterdam |
| ISSN: | 1387-3806 1873-2798 |
| Sprache: | Englisch |
| Schlagwörter: | Reaction mechanism; Carbocations; Hydride abstraction; Proton transfer |
| Fachgebiet (DDC): | 540: Chemie |
| Zusammenfassung: | Reactions between deuterium labelled alkanes and H2OOH+ have been investigated by conducting gas phase reactions within the cell of an FT-ICR mass spectrometer. Propane is exceptional in giving off a hydride (deuteride) thereby producing the propyl cation and two water molecules, as well as demonstrating high activity for proton induced H/D exchange. The detailed mechanistic scenario has been modelled using accurate quantum chemical methods (MP2 and G3). The calculations show that hydrogen exchange takes place via a synchronous flip–flop mechanism. Results of reactions with partially deuteriated propanes demonstrate quite exceptional regioselectivity for hydride abstraction in favour of the secondary positions (2-H) compared to the primary (1-H). This observation is understood on the basis of transition state theory. |
| URI: | https://digitalcollection.zhaw.ch/handle/11475/2067 |
| Volltext Version: | Publizierte Version |
| Lizenz (gemäss Verlagsvertrag): | Lizenz gemäss Verlagsvertrag |
| Departement: | Life Sciences und Facility Management |
| Organisationseinheit: | Institut für Chemie und Biotechnologie (ICBT) |
| Enthalten in den Sammlungen: | Publikationen Life Sciences und Facility Management |
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Adlhart, C., & Uggerud, E. (2006). C-H activation in reactions of protonated hydrogen peroxide with propane. International Journal of Mass Spectrometry, 254(3), 189–196. https://doi.org/10.1016/j.ijms.2006.05.018
Adlhart, C. and Uggerud, E. (2006) ‘C-H activation in reactions of protonated hydrogen peroxide with propane’, International Journal of Mass Spectrometry, 254(3), pp. 189–196. Available at: https://doi.org/10.1016/j.ijms.2006.05.018.
C. Adlhart and E. Uggerud, “C-H activation in reactions of protonated hydrogen peroxide with propane,” International Journal of Mass Spectrometry, vol. 254, no. 3, pp. 189–196, Aug. 2006, doi: 10.1016/j.ijms.2006.05.018.
ADLHART, Christian und Einar UGGERUD, 2006. C-H activation in reactions of protonated hydrogen peroxide with propane. International Journal of Mass Spectrometry. 1 August 2006. Bd. 254, Nr. 3, S. 189–196. DOI 10.1016/j.ijms.2006.05.018
Adlhart, Christian, and Einar Uggerud. 2006. “C-H Activation in Reactions of Protonated Hydrogen Peroxide with Propane.” International Journal of Mass Spectrometry 254 (3): 189–96. https://doi.org/10.1016/j.ijms.2006.05.018.
Adlhart, Christian, and Einar Uggerud. “C-H Activation in Reactions of Protonated Hydrogen Peroxide with Propane.” International Journal of Mass Spectrometry, vol. 254, no. 3, Aug. 2006, pp. 189–96, https://doi.org/10.1016/j.ijms.2006.05.018.
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