Theoretical Study on the 3D Aromaticity in Cationic X44+ (X=O, S, Se, and Te) Clusters

Xian, Xiujuan

doi:10.1016/j.procs.2012.04.037

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2013

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“…As a consequence, aromaticity is considered to be 'multidimensional'. Although the concept of aromaticity was introduced in the context of planar molecules, the idea has since been extended to include non-planar molecules and clusters as well [38][39][40].…”

Section: Origin Of Stabilitymentioning

confidence: 99%

Structural, electronic and magnetic properties of binary transition metal aluminum clusters: absence of electronic shell structure

Chauhan¹,

Singh²,

Majumder³

et al. 2013

J. Phys.: Condens. Matter

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Single Cr, Mn, Fe, Co and Ni doped Al clusters having up to 12 Al atoms are studied using density functional methods. The global minima of structure for all the clusters are identified, and their relative stability and electronic and magnetic properties are studied. FeAl4 and CoAl3 are found to have enhanced stability and aromatic behavior. In contrast to binary transition metal alkali and transition metal alkaline earth clusters, spherical shell models cannot describe the electronic structure of transition metal aluminum clusters.

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Section: Origin Of Stabilitymentioning

confidence: 99%