Onset of carbon-carbon bonding in the Nb5Cy (y=0-6) clusters: a threshold photo-ionisation and density functional theory study

We have used photo-ionisation efficiency spectroscopy to determine the ionisation potentials (IPs) of the niobium-carbide clusters, Nb5Cy (y = 0-6). Of these clusters Nb5C2 and Nb5C3 exhibit the lowest IPs. Complementary density functional theory calculations have been performed to locate the lowest...

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Bibliographic Details
Main Authors: Dryza, V., Gascooke, J., Buntine, Mark, Metha, G.
Format: Journal Article
Published: Royal Society of Chemistry 2009
Subjects:
Online Access:http://hdl.handle.net/20.500.11937/46225