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(M4H3X2)(sub 2)B(sub 2)O(sub 2): Hydrometal complexes (M = Ni, Mg) containing double tetracoordinate planar nonmetal centers (X = C, N)
- Source :
- Journal of Physical Chemistry A. Jan 13, 2005, Vol. 109 Issue 1, p259, 3 p.
- Publication Year :
- 2005
-
Abstract
- Geometrical optimizations and electronic structural analyses of the -O(sub 2)B(sub 2)- bridged hydrometal complexes (M4H3C)(sub 2)B(sub 2)O(sub 2) and (M4H3N)(sub 2)B(sub 2)O(sub 2)(super 2+) (M=Ni, Mg) containing double tetracoordinate planar nonmetals (TPN) are performed using the density functional theory at the B3LYP/6-311+G(d,p) level. Theoretical evidence of the possibility of double TPN centers coexisting in one planar molecule is presented.
Details
- Language :
- English
- ISSN :
- 10895639
- Volume :
- 109
- Issue :
- 1
- Database :
- Gale General OneFile
- Journal :
- Journal of Physical Chemistry A
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.132455281