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dc.creatorCastleberry, Vanessa A.en_US
dc.creatorDee, S. Jasonen_US
dc.creatorVillarroel, Otsmar J.en_US
dc.creatorLaboren, Ivanna E.en_US
dc.creatorFrey, Sarah E.en_US
dc.creatorBellert, Darrin J.en_US
dc.date.accessioned2009-07-29T12:52:18Z
dc.date.available2009-07-29T12:52:18Z
dc.date.issued2009en_US
dc.identifier2009-FB-05en_US
dc.identifier.urihttp://hdl.handle.net/1811/38199
dc.descriptionAuthor Institution: Department of Chemistry and Biochemistry, Baylor University, Waco, Texas, 76798en_US
dc.description.abstractA unique application of a custom fabricated photodissociation spectrometer permits the determination of thermodynamic properties (activation energies), reaction rates, and mechanistic details of bare metal cation mediated C-C $\sigma$-bond activation in the gas phase. Specifically, the products and rates resulting from the unimolecular decomposition of the Ni$^+$Acetone (Ni$^+$Ac) adduct are monitored after absorption of a known amount of energy. The three dissociative products which are observed in high yield are Ni$^+$, Ni$^+$CO, and CH3CO$^+$. The latter two fragment ions result from the activation of a C-C $\sigma$-bond. It was found that minimally 14 000 cm$^{-1}$ of energy must be deposited into the adduct ion to induce C-C bond breakage. Preliminary results for the Ni$^+$ activation of the C-C $\sigma$-bond of acetone indicate that there are (at least) two low energy reaction coordinates leading to C-C bond breakage. The lower energy pathway emerges from the doublet ground state with an upper limit to the activation energy of 14 000 cm$^{-1}$ and reaction rate $\approx$0.14 molecules/$\mu$s. The higher energy path is assumed to be along the quartet reaction coordinate with a minimum activation energy of 18 800 cm$^{-1}$ (relative to the ground state) and a slightly slower reaction rate.en_US
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleENERGY AND RATE DETERMINATIONS TO ACTIVATE THE C-C $\sigma$-BOND OF ACETONE BY GASEOUS $NI^+$en_US
dc.typeArticleen_US


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