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- W2071563320 abstract "Various gas-phase C8H10 radical cations were investigated by using tandem mass spectrometry (MS/MS) and by utilizing AM1, PM3 and MNDO semi-empirical computations. The dissociation properties of the radical cations of bicyclo[2,2,2]octa-2,4-diene (dihydrobarrelene, DHB), bicyclo[4,2,0]octa-2,4-diene (BCO), 1,3,5-cyclooctatriene (COT), and 1,3,5,7-octatetraene (OT) were found to change as a function of internal energy. Both MS/MS and computational results confirm that the DHB radical cation isomerizes to the BCO radical cation and to a lesser extent to the COT radical cation. The OTE radical cation does not interconvert with the BCO, COT or DHB radical cations. An attempt was made to generate a benzene/ethylene C8H10 radical cation adduct ion via gas-phase ion/molecule reaction, but not adduct ion was observed in a chemical ionization source." @default.
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- W2071563320 date "1995-08-01" @default.
- W2071563320 modified "2023-10-12" @default.
- W2071563320 title "A study of C8H10 radical cation isomerizations by collisionally induced dissociation mass spectrometry and computational methodology" @default.
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- W2071563320 doi "https://doi.org/10.1016/0168-1176(95)04219-b" @default.
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