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- W2070280596 abstract "Abstract NF+2 ions from the ionization of NF3 efficiently add to H2O (F2NOH)H+ under chemical ionization conditions. In keeping with the formation process employed, collisionally activated dissociation mass spectrometry indicates the exclusive formation of the oxygen-protonated isomer of F2NOH. Ab initio calculations, at the gaussian-1 level of theory, indicate that this ion is the least stable among the investigated (F2NOH)H+ isomers. However, it is trapped in a deep potential well, which prevents extensive isomerization to the nitrogen-protonated and to the fluorine-protonated isomers, the latter one being by far the most stable protomer. The gaussian-1 potential energy profile accords well with the experimental features of the unimolecular decomposition of the (F2NOH2)+ ions, probed by mass analyzed ion kinetic energy (MIKE) spectrometry. Only the loss of HF was detected, characterized by a dish-topped peak in the MIKE spectrum. Consistent with the ab initio calculations, the measured kinetic energy release is as large as 1.36 eV. The emerging picture has been compared with the previously reported results concerning the gas-phase protonation of NF3." @default.
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- W2070280596 date "1994-01-01" @default.
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- W2070280596 title "The addition of NF+2 to H2O as a route to gaseous protonated F2NOH" @default.
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- W2070280596 doi "https://doi.org/10.1016/0168-1176(93)03912-6" @default.
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