Literature DB >> 11177914

AlH(3) and Al(2)H(6): magic clusters with unmagical properties.

B K Rao1, P Jena, S Burkart, G Ganteför, G Seifert.   

Abstract

Enhanced stability, low electron affinity, and high ionization potential are the hallmarks of a "magic" cluster. With an electron affinity of 0.28 eV, ionization potential of 11.43 eV, and a large binding energy, AlH(3) satisfies these criteria. However, unlike other magic clusters that interact only weakly with each other, two AlH(3) clusters bind to each other with an energy of 1.54 eV. The resulting Al(2)H(6), while also a magic cluster in its own right, possesses the most unusual property that the difference between its adiabatic and vertical detachment energy is about 2 eV--the largest of any known cluster. These results, based on density functional theory, are verified experimentally through photodetachment spectroscopy.

Entities:  

Year:  2001        PMID: 11177914     DOI: 10.1103/PhysRevLett.86.692

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  2 in total

1.  DFT investigation on dihydrogen-bonded amine-borane complexes.

Authors:  Shihai Yan; Hongmei Zou; Wukui Kang; Lixiang Sun
Journal:  J Mol Model       Date:  2015-12-22       Impact factor: 1.810

2.  Computational screening of carbon monoxide (CO) adsorption over neutral and charged Al7 clusters.

Authors:  Z Abdeveiszadeh; E Shakerzadeh; S Noorizadeh
Journal:  Heliyon       Date:  2019-05-28
  2 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.