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- W2051367152 endingPage "5940" @default.
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- W2051367152 abstract "Experimental investigations are reported for reactions of MO˙+ (M = Ca, Sr, and Ba) with elemental hydrides water, ammonia and methane proceeding in the gas phase at 295 ± 3 K in helium buffer gas at a pressure of 0.35 ± 0.01 Torr. Measurements were taken with an inductively-coupled plasma/selected-ion flow tube (ICP/SIFT) tandem mass spectrometer and a novel electrospray ion source/ion selection quadrupole/selected-ion flow tube/triple quadrupole (ESI/qQ/SIFT/QqQ) mass spectrometer. All three alkaline-earth metal oxide ions exclusively abstract a H-atom from the three hydrides with rate coefficients > 1 × 10−11 cm3 molecule−1 s−1. Formation of metal hydroxide ion was followed by sequential addition of water or ammonia, but not methane. Density functional calculations have provided potential energy surfaces for the X–H bond activations leading to H-atom abstraction as well as those for O-atom transfer and H2O elimination (with ammonia and methane). A comparison of experimental and theoretical isotope effects points toward a mechanism involving the direct atom transfer from XH and XD to O in MO˙+via a three-centered transition structure." @default.
- W2051367152 created "2016-06-24" @default.
- W2051367152 creator A5020893695 @default.
- W2051367152 creator A5043332857 @default.
- W2051367152 date "2009-01-01" @default.
- W2051367152 modified "2023-09-25" @default.
- W2051367152 title "Activation of X–H and X–D bonds (X = O, N, C) by alkaline-earth metal monoxide cations: experiment and theory" @default.
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- W2051367152 doi "https://doi.org/10.1039/b903413g" @default.
- W2051367152 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/19588017" @default.
- W2051367152 hasPublicationYear "2009" @default.
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