How Many Hydrogen Atoms Can Be Bound to a Metal? Predicted MH12 Species

Quantum chemical calculations predict the existence of new molecular species with general formula MH12, where M is a group 6 atom. The previous MH n species had n values up to 9. The new systems with n = 12 would be a new record for metal hydrides.

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Bibliographische Detailangaben
Veröffentlicht in:	Journal of the American Chemical Society 2004-11, Vol.126 (46), p.15014-15015
Hauptverfasser:	Gagliardi, Laura, Pyykkö, Pekka
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic and molecular physics Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) Density-functional theory Electronic structure of atoms, molecules and their ions: theory Exact sciences and technology Physics
Online-Zugang:	Volltext
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Beschreibung
Zusammenfassung:	Quantum chemical calculations predict the existence of new molecular species with general formula MH12, where M is a group 6 atom. The previous MH n species had n values up to 9. The new systems with n = 12 would be a new record for metal hydrides.
ISSN:	0002-7863 1520-5126
DOI:	10.1021/ja045991l