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Issue 36, 2018
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Complexes between neutral oxyacid beryllium salts and dihydrogen: a possible way for hydrogen storage?

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Abstract

Accurate ab initio calculations reveal that oxyacid beryllium salts yield rather stable complexes with dihydrogen. The binding energies range between −40 and −60 kJ mol−1 for 1 : 1 complexes, remarkably larger than others previously reported for neutral H2 complexes. The second H2 molecule in 1 : 2 complexes is again strongly bound (between −18 and −20 kJ mol−1). The incoming H2 molecules in 1 : n complexes (n = 3–6) are more weakly bound, confirming the preference of Be for tetracoordinated arrangements.

Graphical abstract: Complexes between neutral oxyacid beryllium salts and dihydrogen: a possible way for hydrogen storage?

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Publication details

The article was received on 27 Apr 2018, accepted on 24 May 2018 and first published on 25 May 2018


Article type: Communication
DOI: 10.1039/C8DT01679H
Citation: Dalton Trans., 2018,47, 12516-12520
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    Complexes between neutral oxyacid beryllium salts and dihydrogen: a possible way for hydrogen storage?

    I. Alkorta, M. M. Montero-Campillo, J. Elguero, M. Yáñez and O. Mó, Dalton Trans., 2018, 47, 12516
    DOI: 10.1039/C8DT01679H

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