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Jelliumatic Shell Model

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Abstract

Jelliumatic shell model (JSM), a variant of jellium model (JM), is proposed in an attempt to rationalize the electron counts of four metal clusters that “violate” the global jelliumatic model (GJM): (1) for the spherically shaped [Cu28H15(S2CNR)12]+, the global jelliumatic electron (gje) count of 30 is partitioned into three electronic shells of {[H]−@[Cu4H6]2+@[Cu24H8(S2CNR)12]}+ with 2, 8, and 20 jelliumatic shell electrons (jse); each shell conforms to JM for a spherical shape; (2) for the [Cu20H11{S2P(OiPr)2}9] cluster, the gje of 22 can be divided into two electronic shells of {[Cu2H5]3−@[Cu18H6L9]3+} with jse of 10 and 12, respectively; each shell satisfies JM for a prolate ellipsoidal shape; (3) for the [Cu32H20{S2P(OiPr)2}12] cluster, with an overall prolate molecular shape, the gje of 40 can be subdivided into three electronic shells of {[Cu12H6]2+@[Cu2H6]4−@[Cu18H8L12]2+} with 16, 12, and 12 jse, in harmony with an oblate ellipsoidal shape for the [Cu12H6]2+ core and prolate ellipsoidal shapes for the [Cu2H6]4− and [Cu18H8L12]2+ shells, respectively; and (4) for the spherical-shaped intermetalloid {[Sn]4−@[Cu12]4+@[Sn20]12−}12− and {[As]3−@[Ni12]8−@[As20]8+}3− clusters, the gje of 108 can be apportioned into three electronic shells (charges as shown) with 8, 8, and 92 jse with each shell being in compliance with JM for a spherical shape.

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Acknowledgments

Financial supports from NNSFC (Grant Nos. 21071117, 21471125) and iChEM, Xiamen University, are gratefully acknowledged.

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Authors and Affiliations

  1. College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005, Fujian, China

    Boon K. Teo & Shi-Yao Yang

  2. College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871, China

    Boon K. Teo

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  1. Boon K. Teo
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  2. Shi-Yao Yang
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Correspondence to Boon K. Teo.

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Teo, B.K., Yang, SY. Jelliumatic Shell Model. J Clust Sci 26, 1923–1941 (2015). https://doi.org/10.1007/s10876-015-0921-7

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  • DOI: https://doi.org/10.1007/s10876-015-0921-7

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