A theoretical study of the hydrogen molecule activation by the Ni 2 cluster, nickel phthalocyanine and a complex formed by nickel phthalocyanine with the Ni 2 cluster

A new system based on the addition of the Ni 2 cluster to a mononuclear phthalocyanine complex with an energy stability of about 26 kcal mol –1 was suggested for the barrierless activation of the H–H bond.

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Bibliographic Details
Published in:Mendeleev communications 2001-09, Vol.11 (5), p.190-192
Main Authors: Mamaev, Viktor M., Ermakov, Kirill V., Gloriozov, Igor P., Gradoboev, Mikhail N., Ishchenko, Sergei Ya, Lemenovskii, Dmitrii A.
Format: Article
Language:English
Online Access:Get full text
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Description
Summary:A new system based on the addition of the Ni 2 cluster to a mononuclear phthalocyanine complex with an energy stability of about 26 kcal mol –1 was suggested for the barrierless activation of the H–H bond.
ISSN:0959-9436
DOI:10.1070/MC2001v011n05ABEH001473