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H-Substituted Anionic Carbon Clusters Cnh- (N <= 10): Density Functional Studies And Experimental Observations, L. Pan, B. K. Rao, A. K. Gupta, G. P. Das, P. Ayyub

Physics Publications

We have studied the interaction of hydrogen with small neutral and anionic carbon clusters using density functional calculations. The geometry, stability, and electronic structure of these clusters show an odd–even alternation originating in the bonding nature of the carbon atoms. Our mass spectrometric measurements of the abundance of CnH− (n⩽10) cluster anions produced by gas-feed Cs sputtering from different crystallographic forms of carbon display similar odd–even alternation with the even-n clusters being relatively more abundant. The calculated trend in the adiabatic electron affinities shows a behavior similar to the experimental abundance pattern. We discuss a possible partial suppression of …