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Designing 3-D molecular stars

Authors :
Tiznado, William
Perez-Peralta, Nancy
Islas, Rafael
Toro-Labbe, Alejandro
Ugalde, Jesus M.
Merino, Gabriel
Source :
Journal of the American Chemical Society. July 8, 2009, Vol. 131 Issue 26, 9426-9431
Publication Year :
2009

Abstract

The potential energy surfaces of the [Si.sub.5][Li.sub.n.sup.5-6] (n = 5?7) systems were explored in detail to find feasible way to design three-dimensional star-like silicon structures using the appropriate ligands. The calculation results revealed that the important contribution of ionic character of the Si-Li interactions to induce the formation of a bridged structure and the contribution of reduction of the Pauli repulsion and the maximization of the orbital towards formation of star-like structure.

Details

Language :
English
ISSN :
00027863
Volume :
131
Issue :
26
Database :
Gale General OneFile
Journal :
Journal of the American Chemical Society
Publication Type :
Academic Journal
Accession number :
edsgcl.204872766