The molecular structure, equilibrium conformation and barrier to internal rotation in decachloroferrocene, Fe(η-C₅Cl₅)₂, determined by gas electron diffraction.

Abstract

The molecular structure of decachloroferrocene has been determined by gas electron diffraction supported by quantum chemical calculations. The equilibrium conformation has staggered ligand rings and D(5d) symmetry. The barrier to internal rotation is, however, only 0.8(2) kJ mol⁻¹. This barrier is so low that even at room temperature the vast majority of… (More)
DOI: 10.1039/c001366h

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