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Tetradecker Transition Metal Complexes Containing Double Planar Hexacoordinate Carbons and Double Planar Heptacoordinate Borons.
- Source :
-
Journal of Physical Chemistry A . Dec2007, Vol. 111 Issue 48, p12069-12071. 3p. - Publication Year :
- 2007
-
Abstract
- A theoretical investigation on tetradecker transition metal complexes of Cp−Fe−CB6−Fe−CB6−Fe−Cp (1) containing double planar hexacoordinate carbons and Cp−Fe−BB7−Fe−BB7−Fe−Cp (2) containing double planar heptcoordinate borons has been performed in this work at density functional theory level. CpFemonocations prove to effectively stabilize these unusual complexes, which are mainly maintained by effective d− coordination interactions between the partially filled Fe 3d orbitals and the delocalized molecular orbitals (MOs) of the four planar deckerlike ligands. The results obtained in these model computations expand the domain of ferrocene chemistry and could provide a new approach for synthesizing planar hyper-coordinate carbons and borons in transition metal complexes. [ABSTRACT FROM AUTHOR]
- Subjects :
- *LINEAR algebra
*TRANSITION metals
*METAL complexes
*COMPLEX compounds
Subjects
Details
- Language :
- English
- ISSN :
- 10895639
- Volume :
- 111
- Issue :
- 48
- Database :
- Academic Search Index
- Journal :
- Journal of Physical Chemistry A
- Publication Type :
- Academic Journal
- Accession number :
- 27791844
- Full Text :
- https://doi.org/10.1021/jp076006t