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Hydroxyl Radical Formation In The Gas Phase Oxidation Of Distonic 2-Methylphenyl Radical Cations, Matthew Prendergast, Phillip A. Cooper, Benjamin B. Kirk, Gabriel Da Silva, Stephen J. Blanksby, Adam J. Trevitt
Hydroxyl Radical Formation In The Gas Phase Oxidation Of Distonic 2-Methylphenyl Radical Cations, Matthew Prendergast, Phillip A. Cooper, Benjamin B. Kirk, Gabriel Da Silva, Stephen J. Blanksby, Adam J. Trevitt
Adam Trevitt
The reactions of distonic 4-(N,N,N-trimethylammonium)-2-methylphenyl and 5-(N,N,N-trimethylammonium)-2-methylphenyl radical cations (m/z 149) with O 2 are studied in the gas phase using ion-trap mass spectrometry. Photodissociation (PD) of halogenated precursors gives rise to the target distonic charge-tagged methylphenyl radical whereas collision-induced dissociation (CID) is found to produce unreactive radical ions. The PD generated distonic radicals, however, react rapidly with O2 to form [M + O2]•+ and [M + O2 - OH]•+ ions, detected at m/z 181 and m/z 164, respectively. Quantum chemical calculations using G3SX(MP3) and M06-2X theories are deployed to examine key decomposition pathways of the 5-(N,N,N-trimethylammonium)-2-methylphenylperoxyl radical and rationalise …
Formation Of Dimethylketene And Methacrolein By Reaction Of The Ch Radical With Acetone, Fabien Goulay, Adeeb Derakhshan, Eamonn Maher, Adam J. Trevitt, John D. Savee, Adam M. Scheer, David L. Osborn, Craig A. Taatjes
Formation Of Dimethylketene And Methacrolein By Reaction Of The Ch Radical With Acetone, Fabien Goulay, Adeeb Derakhshan, Eamonn Maher, Adam J. Trevitt, John D. Savee, Adam M. Scheer, David L. Osborn, Craig A. Taatjes
Adam Trevitt
The reaction of the methylidyne radical (CH) with acetone ((CH3)2CO) is studied at room temperature and at a pressure of 4 Torr (533.3 Pa) using a multiplexed photoionization mass spectrometer coupled to the tunable vacuum ultraviolet synchrotron radiation of the Advanced Light Source at Lawrence Berkeley National Laboratory. The CH radicals are generated by 248 nm multiphoton photolysis of bromoform and react with acetone in an excess of helium and nitrogen gas flow. The main observed reaction exit channel is elimination of a hydrogen atom to form C4H6O isomers. Analysis of photoionization spectra identifies dimethylketene and methacrolein as the only …