Nov 1, 2007

Anion photoelectron spectroscopy and density functional investigation of diniobium-carbon clusters

ACS Nano
K L KnappenbergerA W Castleman


Experimental photoelectron and computational results show diniobium-carbon (Nb(2)C(n)) clusters to coexist in multiple structural isomers: three-dimensional geometries, planar rings, and linear chains. Three-dimensional clusters having up to five carbons are formed preferentially with Nb-Nb bonding, whereas only Nb-C bonding is observed experimentally at six carbons. Clusters consisting of an odd number of atoms are also observed with linear geometries. The larger binary clusters (n > or = 7) display properties similar to those of pure carbon clusters. We provide evidence for niobium substitution of carbon atoms.

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