Issue 36, 2018

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

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?

Supplementary files

Article information

Article type
Communication
Submitted
27 এপ্রিল 2018
Accepted
24 মে 2018
First published
25 মে 2018

Dalton Trans., 2018,47, 12516-12520

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

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements