Original Publication Date
The Journal of Chemical Physics
DOI of Original Publication
Date of Submission
We have systematically calculated the ground state geometries, relative stability, electronic structure, and spectroscopic properties of PtCl n (n = 1–7) clusters. The bonding in these clusters is dominated by covalent interaction. In neutral clusters, chlorine atoms are chemically bound to Pt up to n = 5. However, in neutral PtCl6 and PtCl7 clusters, two of the chlorine atoms bind molecularly while the remaining bind as individual atoms. In the negative ions, this happens only in the case of PtCl7 cluster. The geometries of both neutral and anionic clusters can be considered as fragments of an octahedron and are attributed to the stabilization associated with splitting of partially filled d orbitals under the chloride ligand field. The electron affinity of PtCl n clusters rises steadily with n, reaching a maximum value of 5.81 eV in PtCl5. PtCl n clusters with n ≥ 3 are all superhalogens with electron affinities larger than that of chlorine. The accuracy of our results has been verified by carrying out photoelectron spectroscopy experiments on PtCl n − anion clusters.
Joseph, J., Pradhan, K., & Jena, P., et al. Evolution of superhalogen properties in PtCln clusters. The Journal of Chemical Physics, 136, 194305 (2012). Copyright © 2012 American Institute of Physics.
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VCU Physics Publications