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dc.contributor.authorAdlhart, Christian-
dc.contributor.authorUggerud, Einar-
dc.date.accessioned2018-01-16T15:44:39Z-
dc.date.available2018-01-16T15:44:39Z-
dc.date.issued2006-08-01-
dc.identifier.issn1387-3806de_CH
dc.identifier.issn1873-2798de_CH
dc.identifier.urihttps://digitalcollection.zhaw.ch/handle/11475/2067-
dc.description.abstractReactions 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.isoende_CH
dc.publisherElsevierde_CH
dc.relation.ispartofInternational Journal of Mass Spectrometryde_CH
dc.rightsLicence according to publishing contractde_CH
dc.subjectReaction mechanismde_CH
dc.subjectCarbocationsde_CH
dc.subjectHydride abstractionde_CH
dc.subjectProton transferde_CH
dc.subject.ddc540: Chemiede_CH
dc.titleC-H activation in reactions of protonated hydrogen peroxide with propanede_CH
dc.typeBeitrag in wissenschaftlicher Zeitschriftde_CH
dcterms.typeTextde_CH
zhaw.departementLife Sciences und Facility Managementde_CH
zhaw.organisationalunitInstitut für Chemie und Biotechnologie (ICBT)de_CH
zhaw.publisher.placeAmsterdamde_CH
dc.identifier.doi10.1016/j.ijms.2006.05.018de_CH
zhaw.funding.euNode_CH
zhaw.issue3de_CH
zhaw.originated.zhawYesde_CH
zhaw.pages.end196de_CH
zhaw.pages.start189de_CH
zhaw.publication.statuspublishedVersionde_CH
zhaw.volume254de_CH
zhaw.publication.reviewPeer review (Publikation)de_CH
Appears in collections: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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