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• W2011049469 abstract "We report the formation of icosahedral B12H8+ through ion-molecule reactions of the decaborane ion [B10Hx+ (x=6–14)] with diborane (B2H6) molecules in an external quadrupole static attraction ion trap. The hydrogen content n of B12Hn+ is determined by the analysis of the mass spectrum. The result reveals that B12H8+ is the main product. Ab initio calculations indicate that B12H8+ preferentially forms an icosahedral structure rather than a quasiplanar structure. The energies of the formation reactions of B12H14+ and B12H12+ between B10Hx+ (x=6,8) ions, which are considered to be involved in the formation of B12Hn+, and a B2H6 molecule are calculated. The calculations of the detachment pathway of H2 molecules and H atoms from the product ions, B12H14+ and B12H12+, indicate that the intermediate state has a relatively low energy, enabling the detachment reaction to proceed owing to the sufficient reaction energy. This autodetachment of H2 accounts for the experimental result that B12H8+ is the most abundant product, even though it does not have the lowest energy among B12Hn+." @default.
• W2011049469 created "2016-06-24" @default.
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• W2011049469 date "2008-03-28" @default.
• W2011049469 modified "2023-09-26" @default.
• W2011049469 title "Formation of hydrogenated boron clusters in an external quadrupole static attraction ion trap" @default.
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• W2011049469 doi "https://doi.org/10.1063/1.2894864" @default.
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