Literature DB >> 17002378

To achieve stable spherical clusters: general principles and experimental confirmations.

Zhongfang Chen1, Sven Neukermans, Xin Wang, Ewald Janssens, Zhen Zhou, Roger E Silverans, R Bruce King, Paul von Ragué Schleyer, Peter Lievens.   

Abstract

General principles for designing stable highly symmetrical clusters are proposed. This approach takes advantage of both the extra stability of cage aromaticity and the good geometrical balance between the outer cage and the endohedral atom. The applicability of these design principles was confirmed by gas-phase experimental observations on group 14 element cages with endohedral Al's and also is illustrated by many literature examples of diverse systems.

Year:  2006        PMID: 17002378     DOI: 10.1021/ja062868g

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN: 0002-7863            Impact factor:   15.419


  6 in total

1.  Density functional study of bare gold clusters: the ten-vertex neutral system.

Authors:  Menyhárt B Sárosi; Petronela M Petrar; R Bruce King
Journal:  J Mol Model       Date:  2013-08-22       Impact factor: 1.810

2.  Theoretical study on the aromaticity from d-AOs in cationic X(3)(+) (X = Sc, Y, La) clusters.

Authors:  Xian Xing Chi; Xing Zhan Lin
Journal:  J Mol Model       Date:  2010-07-01       Impact factor: 1.810

3.  Endohedral metalloborofullerenes M@B44 (M = Ca, Sr, Ba): a computational investigation.

Authors:  Le Yang; Peng Jin; Qinghua Hou; Lanlan Li
Journal:  J Mol Model       Date:  2016-11-28       Impact factor: 1.810

4.  Computational quest for spherical C12B68 fullerenes with "magic" π-electrons and quasi-planar tetra-coordinated carbon.

Authors:  Fengyu Li; De-en Jiang; Zhongfang Chen
Journal:  J Mol Model       Date:  2014-02-14       Impact factor: 1.810

5.  Computational investigation on MB n (M = Li-Cs, Be-Ba, Sc-La and Ti; n = 28 and 38).

Authors:  Qianhui Xu; Chang Liu; Le Yang; Peng Jin; Chengchun Tang; Zhongfang Chen
Journal:  J Mol Model       Date:  2016-07-16       Impact factor: 1.810

6.  Design of three-shell icosahedral matryoshka clusters A@B₁₂@A2₂₀ (A = Sn, Pb; B = Mg, Zn, Cd, Mn).

Authors:  Xiaoming Huang; Jijun Zhao; Yan Su; Zhongfang Chen; R Bruce King
Journal:  Sci Rep       Date:  2014-11-07       Impact factor: 4.379

  6 in total

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