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Theoretical study of icosahedral closo-borane, -alane, and -gallane dianions (A (sub)12 H (sub)12 (super)2-; A= B, Al, Ga) with endohedral noble gas atoms (Ng= He, Ne, and Kr) and their lithium salts (Li[Ng@A (sub)12 H (sub)12] (super)- and Li (sub)2 [Ng@A (sub)12 H (sub)12])

Authors :
Charkin, O. P.
Klimenko, N. M.
Moran, D.
Mebel, A. M.
Charkin, D. O.
Schleyer, P. v. R.
Source :
Inorganic Chemistry. Dec 31, 2001, Vol. 40 Issue 27, p6913, 10 p.
Publication Year :
2001

Abstract

Research has been conducted on the family of the endohedral closo-boranes, -alanes and -gallanes. The geometries, energies, magnetic properties and vibrational frequencies of these dianions with the noble gas atoms located in the centers of the icosahedral [B (sub)12], [Al (sub)12] and [Ga (sub)12] clusters have been computed and the results are discussed.

Details

ISSN :
00201669
Volume :
40
Issue :
27
Database :
Gale General OneFile
Journal :
Inorganic Chemistry
Publication Type :
Academic Journal
Accession number :
edsgcl.81823128