The Missing Parent Compound [(C₅ H₅ )Fe(η⁵ -P₅ )]: Synthesis, Characterization, Coordination Behavior and Encapsulation.

ABSTRACT: The so far missing parent compound of the large family of pentaphosphaferrocenes [CpFe(η⁵ -P₅ )] (1 b) was synthesized by the thermolysis of [CpFe(CO)₂ ]₂ with P₄ using the very high-boiling solvent diisopropylbenzene. It was comprehensively characterized by, inter alia, NMR spectroscopy, single crystal X-ray structure analysis, cyclic voltammetry and DFT computations. Moreover, its coordination behavior towards Cu^I halides was explored, revealing the unprecedented 2D polymeric networks [{CpFe(η^5:1:1:1:1 -P₅ )}Cu₂ (μ-X)₂ ]_n (2 a: X=Cl, 2 b: X=Br) and [{CpFe(η^5:1:1 -P₅ )}Cu(μ-I)]_n (3) and even the first cyclo-P₅ -containing 3D coordination polymer [{CpFe(η^5:1:1 -P₅ )}Cu(μ-I)]_n (4). The sandwich complex 1 b can also be incorporated in nano-sized supramolecules based on [Cp*Fe(η⁵ -P₅ )] (1 a) and CuX (X=Cl, Br, I): [CpFe(η⁵ -P₅ )]@[{Cp*Fe(η⁵ -P₅ )}₁₂ (CuX)_20-n ] (5 a: X=Cl, n=2.4; 5 b: X=Br, n=2.4; 5 c: X=I, n=0.95). Thereby, the formation of the CuI-containing fullerene-like sphere 5 c is found for the first time.

SUBMITTER: Heinl C 

PROVIDER: S-EPMC8252565 | biostudies-literature | 2021 May

REPOSITORIES: biostudies-literature