The Kubas interaction in M(II) (M = Ti, V, Cr) hydrazine-based hydrogen storage materials: a DFT study

The Cr(II) binding sites of an experimentally realised hydrazine linked hydrogen storage material have been studied computationally using density functional theory. Both the experimentally determined rise in H(2) binding enthalpy upon alteration of the ancillary ligand from bis[(trimethylsilyl)methy...

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Veröffentlicht in:	Dalton transactions : an international journal of inorganic chemistry 2012-07, Vol.41 (28), p.8515-8523
Hauptverfasser:	Skipper, Claire V J, Hamaed, Ahmad, Antonelli, David M, Kaltsoyannis, Nikolas
Format:	Artikel
Sprache:	eng
Schlagworte:	Alterations Chromium Electron density Hydrazines Hydrides Hydrogen storage materials Ligands Orbitals
Online-Zugang:	Volltext
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