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Molecular Orbital Interpretation of Magic Clusters with Non‐Magic Numbers
Author(s) -
Kim Hyemi,
Jung Jaehoon,
Han YoungKyu
Publication year - 2009
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200800549
Subject(s) - jellium , magic (telescope) , magic number (chemistry) , interpretation (philosophy) , metal , doping , molecular orbital , physics , chemistry , crystallography , chemical physics , atomic physics , materials science , condensed matter physics , molecule , quantum mechanics , computer science , organic chemistry , programming language
Why are they magical? Mixed‐metal clusters have very different electronic properties from simple metal clusters. The large MO splitting and reordering of Al clusters by Cs doping render the jellium description invalid and are responsible for the magic nature of the highly symmetric Al 12 Cs − and Al 11 Cs 2 − clusters (see picture).