Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Adlhart, Christian | - |
dc.contributor.author | Uggerud, Einar | - |
dc.date.accessioned | 2018-01-16T15:44:39Z | - |
dc.date.available | 2018-01-16T15:44:39Z | - |
dc.date.issued | 2006-08-01 | - |
dc.identifier.issn | 1387-3806 | de_CH |
dc.identifier.issn | 1873-2798 | de_CH |
dc.identifier.uri | https://digitalcollection.zhaw.ch/handle/11475/2067 | - |
dc.description.abstract | 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. | de_CH |
dc.language.iso | en | de_CH |
dc.publisher | Elsevier | de_CH |
dc.relation.ispartof | International Journal of Mass Spectrometry | de_CH |
dc.rights | Licence according to publishing contract | de_CH |
dc.subject | Reaction mechanism | de_CH |
dc.subject | Carbocations | de_CH |
dc.subject | Hydride abstraction | de_CH |
dc.subject | Proton transfer | de_CH |
dc.subject.ddc | 540: Chemie | de_CH |
dc.title | C-H activation in reactions of protonated hydrogen peroxide with propane | de_CH |
dc.type | Beitrag in wissenschaftlicher Zeitschrift | de_CH |
dcterms.type | Text | de_CH |
zhaw.departement | Life Sciences und Facility Management | de_CH |
zhaw.organisationalunit | Institut für Chemie und Biotechnologie (ICBT) | de_CH |
zhaw.publisher.place | Amsterdam | de_CH |
dc.identifier.doi | 10.1016/j.ijms.2006.05.018 | de_CH |
zhaw.funding.eu | No | de_CH |
zhaw.issue | 3 | de_CH |
zhaw.originated.zhaw | Yes | de_CH |
zhaw.pages.end | 196 | de_CH |
zhaw.pages.start | 189 | de_CH |
zhaw.publication.status | publishedVersion | de_CH |
zhaw.volume | 254 | de_CH |
zhaw.publication.review | Peer review (Publikation) | de_CH |
Appears in collections: | Publikationen Life Sciences und Facility Management |
Files in This Item:
There are no files associated with this item.
Show simple item record
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.
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.