S-P coupling induced unusual open-shell metal clusters

被引：0

作者：

20141517565505

机构：

[1] Cheng, Shi-Bo

[2] Berkdemir, Cuneyt

[3] Melko, Joshua J.

[4] 1,Castleman, A.W.

来源：

Castleman, A.W. (awc@psu.edu) | 1600年 / American Chemical Society卷 / 136期

关键词：

Metal clusters featuring closed supershells or aromatic character usually exhibit remarkably enhanced stability in their cluster series. However; not all stable clusters are subject to these fundamental constraints. Here; by employing photoelectron imaging spectroscopy and ab initio calculations; we present experimental and theoretical evidence on the existence of unexpectedly stable open-shell clusters; which are more stable than their closed-shell and aromatic counterparts. The stabilization of these open-shell Al-Mg clusters is proposed to originate from the S-P molecular orbital coupling; leading to highly stable species with increased HOMO-LUMO gaps; akin to s-p hybridization in an organic carbon atom that is beneficial to form stable species. Introduction of the coupling effect highlighted here not only shows the limitations of the conventional closed-shell model and aromaticity but also provides the possibility to design valuable building blocks. © 2014 American Chemical Society;

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摘要：

Journal article (JA)

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