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Interaction of small boron cluster ions with HF Marianne B. Sowa-Resat,a)

Summary: Interaction of small boron cluster ions with HF
Marianne B. Sowa-Resat,a)
Jason Smolanoff, Adam Lapicki, and Scott L. Andersonb)
Department of Chemistry, University of Utah, Salt Lake City, Utah 84112
Received 29 January 1997; accepted 12 March 1997
A combined experimental and theoretical study of the reactivity of small boron cluster cations with
HF is reported on in this article. Cross sections for the reaction of mass-selected boron Bn , n
214 and boron monohydride BnH , n 4, 7, and 10 cluster ions with HF are reported for
collision energies from 0.1 to 10 eV. The reaction proceeds via a chemically bound intermediate
complex, and the major product channels involve elimination of BF or H from the BnHF
intermediate. Both reactivity and product branching depend strongly on cluster size. Reactivity at
low energies generally decreases with increasing size, with the appearance of significant bottlenecks
to reaction. The effect of adding a hydrogen atom to the reactant clusters was examined for several
cluster sizes. In contrast to the boron oxides, hydrogenation of elemental boron cluster ions has little
effect on reactivity with HF, suggesting that H does not compete effectively for HF binding sites.
The results provide a sensitive test for the accuracy of ab initio calculations on Bn and BnH and
BnF , and the calculations provide insight into the reaction mechanism and effects of cluster
structure on reactivity. 1997 American Institute of Physics. S0021-9606 97 01923-5
A major problem in cluster chemistry is a lack of infor-


Source: Anderson, Scott L. - Department of Chemistry, University of Utah


Collections: Energy Storage, Conversion and Utilization; Materials Science; Chemistry