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- W2118727462 endingPage "19863" @default.
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- W2118727462 abstract "The protonation of CF3C6H5 and deprotonation of [CF3C6H5]H+ ions have been studied by FT-ICR with the kinetic bracketing technique. The protonation by weak BH+ acids is dissociative, with an onset for C6H5CF2+ and HF formation at a gas phase basicity of B equal to 172 kcal mol-1. Stronger acids, CH5+, SO2H+ and C2H5+ yield persistent [CF3C6H5]H+ ions. These results have been interpreted with the aid of ab initio MO calculations showing that the fluorine atoms have a higher proton affinity than the ring carbons. The dissociative proton transfer appears to be entropically driven, surmounting a C6H5CF2+/HF binding energy of 10.3 kcal mol-1. The kinetics of proton transfer from [CF3C6H5]H+ to benzene and to (C2H5O)2CO, a fairly strong base in the gas phase, show similar rate ratios in FT-ICR and in radiolytic systems at atmospheric pressure." @default.
- W2118727462 created "2016-06-24" @default.
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- W2118727462 date "1996-01-01" @default.
- W2118727462 modified "2023-10-18" @default.
- W2118727462 title "Structure and Reactivity of Protonated α,α,α-Trifluorotoluene in the Gas Phase. A Combined FT-ICR, Radiolytic, and ab Initio MO Study" @default.
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- W2118727462 doi "https://doi.org/10.1021/jp961075l" @default.
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