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(4-Fluorobenzyl)triphenylphosphonium Hexachlorozirconate [Ph3PCH2C6H4F-4][ZrCl6]: Synthesis and Structure

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Abstract

(4-Fluorobenzyl)triphenylphosphonium hexachlorozirconate [Ph3PCH2C6H4F‑4][ZrCl6] (I) is synthesized by the reaction of (4‑fluorobenzyl)triphenylphosphonium chloride with zirconium tetrachloride in an acetonitrile solution. The structure of the compound is characterized by IR spectroscopy, 1Н, 13С{1Н}, and 19F{1Н} NMR spectroscopy, elemental analysis, and single-crystal X-ray diffraction (XRD). According to the XRD data, the crystals of complex I (CIF file CCDC no. 2063132) consist of tetrahedral (4‑fluorobenzyl)triphenylphosphonium cations (СРС 99.44(13)°−114.94(12)°, P−C 1.706(2)−1.935(3) Å) of two types and octahedral anions [ZrCl6]2– (trans-ClZrCl angles 177.35(3)°−178.62(3)°, distances Zr−Cl 2.4308(9)–2.5350(11) Å). The structure of complex I is formed due to weak hydrogen bonds between the cations and anions. The IR spectrum of complex I exhibits an intense band of stretching vibrations of the F−CAr bond at 997 cm−1, a band of vibrations of the P−СAr bonds at 1439 cm−1, and bending and stretching C−H vibration bands at 743 and 3059, 2912 cm−1. The doublet due to the long-range interaction on the fluorine atom (J = 8.8 Hz) is the characteristic signal in the 31Р NMR spectrum of complex I. All signals of the carbon atoms in the 13С NMR spectrum are observed as doublets and doublet-doublets due to the direct and long-range interactions with the fluorine and phosphorus atoms.

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Authors and Affiliations

  1. South Ural State University (National Research University), Chelyabinsk, Russia

    V. V. Sharutin, O. K. Sharutina & A. V. Rybakova

  2. Ural Federal University named after the first President of Russia B.N. Yeltsin, Yekaterinburg, Russia

    O. S. El’tsov

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  1. V. V. Sharutin
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  2. O. K. Sharutina
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  3. A. V. Rybakova
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Correspondence to A. V. Rybakova.

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Translated by E. Yablonskaya

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Sharutin, V.V., Sharutina, O.K., Rybakova, A.V. et al. (4-Fluorobenzyl)triphenylphosphonium Hexachlorozirconate [Ph3PCH2C6H4F-4][ZrCl6]: Synthesis and Structure. Russ J Coord Chem 49, 189–193 (2023). https://doi.org/10.1134/S1070328423700380

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