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From Icosahedral Boron Subhalides to Octahedral Metalloid Aluminum and Gallium Analogues: Quo vadis, Wade's Rules?
Author(s) -
Koch Katharina,
Burgert Ralf,
Schnöckel Hansgeorg
Publication year - 2007
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200701020
Subject(s) - icosahedral symmetry , metalloid , octahedron , boron , gallium , crystallography , chemistry , computational chemistry , crystal structure , organic chemistry , metal
In a dead end? The value of applying Wade's rules to neutral and dianionic [Al 12 Cl 12 ] and [Ga 12 Cl 12 ] species is diminishing: According to DFT calculations, [Al 6 (AlCl 2 ) 6 ] clusters with an octahedral (metalloid) {Al 6 } core (right) are energetically favored over icosahedral compounds (left) as is also found for several structurally examined subhalides (e.g. [Al 22 Cl 20 ]). In addition it is not the postulated centered icosahedral isomers of [Al 13 I 12 ] − clusters that constitute the energetic minima, but the metalloid isomers.