Phosphonium-substituted Diphosphaindenylide (PPI): Exploration of Biradical Character and Ligand Properties


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Date

2024-02-01

Publication Type

Journal Article

ETH Bibliography

yes

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Abstract

Starting from C₆H₄(PCl₂)₂ and the TMS-substituted ylide (TMS)₂C=PR₃ (TMS=trimethylsilyl, R=p-tolyl), the phosphonium-substituted diphosphaindenylide PPI was prepared in two steps. CASSCF calculations as well as the reactivity toward diphenyl acetylene suggest a notable biradical character in PPI. Reaction with [Cr(CO)₃(MeCN)₃] affords the complex [Cr(CO)₃(η⁵-PPI)] (5). This complex was employed to explore the ligand properties of PPI, which demonstrates considerable potential through the combination of strong metal-ligand interactions and the possibility of a pronounced indenyl effect.

Publication status

published

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Volume

30 (7)

Pages / Article No.

Publisher

Wiley-VCH

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Subject

Chromium; Coordination Chemistry; Phosphorus Heterocycles; Quantum Chemistry; Ylides

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Funding

ETH-45 20-1 - Homogeneously catalyzed conversion of NOx and N2O to benign chemicals (ETHZ)

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