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

12 September 2023, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


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.


Coordination Chemistry
Phosphorus Heterocycles
Quantum Chemistry

Supplementary materials

Supporting Information
Includes the data supporting the claims made in the manuscript.


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