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• W2105492591 startingPage "3981" @default.
• W2105492591 abstract "Abstract A Fourier transform ion cyclotron resonance spectrometry (FT‐ICR) study of the gas‐phase protonation of ammonia‐borane and sixteen amine/boranes R 1 R 2 R 3 NBH 3 (including six compounds synthesized for the first time) has shown that, without exception, the protonation of amine/boranes leads to the formation of dihydrogen. The structural effects on the experimental energetic thresholds of this reaction were determined experimentally. The most likely intermediate and the observed final species (besides H 2 ) are R 1 R 2 R 3 NBH 4 + and R 1 R 2 R 3 NBH 2 + , respectively. Isotopic substitution allowed the reaction mechanism to be ascertained. Computational analyses ([MP2/6‐311+G(d,p)] level) of the thermodynamic stabilities of the R 1 R 2 R 3 NBH 3 adducts, the acidities of the proton sources required for dihydrogen formation, and the structural effects on these processes were performed. It was further found that the family of R 1 R 2 R 3 NBH 4 + ions is characterized by a three‐center, two‐electron bond between B and a loosely bound H 2 molecule. Unexpected features of some R 1 R 2 R 3 NBH 4 + ions were found. This information allowed the properties of amine/boranes most suitable for dihydrogen generation and storage to be determined." @default.
• W2105492591 created "2016-06-24" @default.
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• W2105492591 date "2012-02-22" @default.
• W2105492591 modified "2023-10-18" @default.
• W2105492591 title "Dihydrogen Generation from Amine/Boranes: Synthesis, FT-ICR, and Computational Studies" @default.
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• W2105492591 doi "https://doi.org/10.1002/chem.201102611" @default.
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• W2105492591 hasPublicationYear "2012" @default.
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