DOI: 10.1063/1.474536. Reactions of Ni38 with N2, H2, and CO: Cluster structure and adsorbate binding sites

Reactions of Ni38 with N2, H2, and CO: Cluster structure and adsorbate binding sites

10.1063/1.474536

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The gas-phase reactions of nitrogen, hydrogen, and carbon monoxide with Ni38 are studied as a function of reagent pressure at several reaction temperatures. Saturation coverage of the cluster is found at Ni38(N2)24, Ni38H36, and Ni38(CO)36. These saturation levels are consistent with the metal core of the ligated cluster having the structure of a truncated octahedron in each case. An alternate fcc structure derived from a 40-atom truncated tetrahedron is consistent with the nitrogen data, but not with the hydrogen or carbon monoxide results. In addition, the nitrogen uptake data indicate that the bare Ni38 cluster also has the structure of a truncated octahedron or possibly a deformed truncated octahedron. There is no indication that Ni38 has an icosahedral or polyicosahedral structure. The nature of the binding of the three reagents to the cluster is discussed. Evidence is presented that CO initially binds to atop sites, but following saturation of these sites a local rearrangement to bridge sites occurs that allows an increase in coverage to the observed saturation at Ni38(CO)36. At high reagent pressures all three reagents cause adsorbate-induced structural changes to isomers that bind more ligands and whose structures have yet to be determined.

Bibliography

Parks, E. K., Nieman, G. C., Kerns, K. P., & Riley, S. J. (1997). Reactions of Ni38 with N2,âH2, and CO: Cluster structure and adsorbate binding sites. The Journal of Chemical Physics, 107(6), 1861â1871.

Authors 4

E. K. Parks (first)
G. C. Nieman (additional)
K. P. Kerns (additional)
S. J. Riley (additional)

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Dates

Type	When
Created	23 years ago (July 26, 2002, 8:25 a.m.)
Deposited	1 year, 6 months ago (Feb. 6, 2024, 9:14 a.m.)
Indexed	1 month, 3 weeks ago (June 30, 2025, 7:26 a.m.)
Issued	28 years ago (Aug. 8, 1997)
Published	28 years ago (Aug. 8, 1997)
Published Print	28 years ago (Aug. 8, 1997)

Funders 0

None

BibTeX

@article{Parks_1997, title={Reactions of Ni38 with N2, H2, and CO: Cluster structure and adsorbate binding sites}, volume={107}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.474536}, DOI={10.1063/1.474536}, number={6}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Parks, E. K. and Nieman, G. C. and Kerns, K. P. and Riley, S. J.}, year={1997}, month=aug, pages={1861–1871} }

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