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- W2000772758 abstract "Dissociative electron ionization of triethoxysilane, HSi(OC2H5)3, and tetraethoxysilane, Si(OC2H5)4, generates m/z 79 ions of composition [Si, O3, H3]+. From tandem mass spectrometry experiments and CBS-QB3 model chemistry calculations, it is concluded that these ions have the structure of protonated silicic acid, Si(OH)3+ (1a+), for which ΔHf(298K)=−36.3 kcal mol−1 (for the anti-isomer). Low energy (metastable) ions 1a+ dissociate via loss of H2O and SiO2 to yield m/z 61 (HOSiO+) and m/z 19 (H3O+) product ions, respectively. These reactions involve isomerization of 1a+ into the stable isomers HOSi(O)OH2+ (1b+), and [H2O⋯H⋯OSiO]+ (1c+), the proton-bound dimer of SiO2 and H2O. The dimer ion lies 77 kcal mol−1 higher in energy than 1a+, in contrast to the carbon analogues C(OH)3+ and [H2O⋯H⋯OCO]+ which have comparable heats of formation. From neutralization–reionization experiments it is concluded that the Si(OH)3 radical is a stable species in the gas phase, having a calculated ΔHf(298K)=−191.1 kcal mol−1 (for the anti-isomer)." @default.
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- W2000772758 date "2002-12-01" @default.
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- W2000772758 title "Generation and characterization of protonated silicic acid Si(OH)3+ and its neutral counterpart by tandem mass spectrometry and computational chemistry" @default.
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- W2000772758 doi "https://doi.org/10.1016/s1387-3806(02)00997-1" @default.
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