Sandwich Compounds of Transition Metals with Cyclopolyenes and Isolobal Boron Analogues

Abstract

A series of sandwich compounds of transition metals (M=Ni, Fe, Cr) with cyclic hydrocarbon (M(CH)n) and borane (M(BH2)n), ligands (including mixed hydrocarbon/borane sandwiches) has been studied using density functional theory (B3LYP/6‐311+G(df,p)). Multicenter bonding between the central metal atom and basal cycloborane rings provides stabilization to planar cycloborane species. Large negative NICS values allude to aromatic character in the cycloboranes similar to the analogous cyclic hydrocarbons. The ability of cycloborane sandwiches to stabilize attached carbocations, radicals and carbanions is also assessed.

Document Type

Article

DOI

https://doi.org/10.1002/chem.200902004

Keywords

arenes, boranes, density functional calculations, metallocenes, sandwich complexes

Publication Date

2010

Journal Title

Chemistry–A European Journal

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