Jelliumatic Shell Model

doi:10.1007/s10876-015-0921-7

CORC > 北京大学 > 化学与分子工程学院

	Jelliumatic Shell Model
	Teo, Boon K. ; Yang, Shi-Yao
刊名	JOURNAL OF CLUSTER SCIENCE
	2015
关键词	Jelliumatic shell model Global jelliumatic model Magic numbers Copper hydride clusters Intermetalloid clusters SIMPLE METAL-CLUSTERS AG-M M=PT AU-AG ZINTL IONS STRUCTURAL-CHARACTERIZATION INTERMETALLOID CLUSTERS NEUTRON-DIFFRACTION BUILDING-BLOCKS SITE PREFERENCE GOLD CLUSTER
DOI	10.1007/s10876-015-0921-7
英文摘要	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(O (i) Pr)(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(O (i) Pr)(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-)@[Cu-12](4+)@[Sn-20](12-)}(12-) and {[As](3-)@[Ni-12](8-)@[As-20](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.; NNSFC [21071117, 21471125]; iChEM, Xiamen University; SCI(E); ARTICLE; boonkteo@gmail.com; 6; 1923-1941; 26
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/415462]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	Teo, Boon K.,Yang, Shi-Yao. Jelliumatic Shell Model[J]. JOURNAL OF CLUSTER SCIENCE,2015.
APA	Teo, Boon K.,&Yang, Shi-Yao.(2015).Jelliumatic Shell Model.JOURNAL OF CLUSTER SCIENCE.
MLA	Teo, Boon K.,et al."Jelliumatic Shell Model".JOURNAL OF CLUSTER SCIENCE (2015).