Planar vs. three-dimensional X62−, X2Y42−, and X3Y32− (X, Y = B, Al, Ga) metal clusters: an analysis of their relative energies through the turn-upside-down approach
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Media type:
E-Article
Title:
Planar vs. three-dimensional X62−, X2Y42−, and X3Y32− (X, Y = B, Al, Ga) metal clusters: an analysis of their relative energies through the turn-upside-down approach
Contributor:
El Bakouri, Ouissam;
Solà, Miquel;
Poater, Jordi
Published:
Royal Society of Chemistry (RSC), 2016
Published in:
Physical Chemistry Chemical Physics, 18 (2016) 31, Seite 21102-21110
Language:
English
DOI:
10.1039/c6cp01109h
ISSN:
1463-9076;
1463-9084
Origination:
Footnote:
Description:
Despite the fact that B and Al belong to the same group 13 elements, the B62− cluster prefers the planar D2h geometry, whereas Al62− favours the Oh structure, which is caused by orbital interactions.