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Abstract <p>A new cyclometalated platinum(II) complex [Pt(ppy)(SCN)(CNC<sub>6</sub>H<sub>3</sub>-2-F-4-I)] (<b>I</b>, Hppy&#xa0;=&#xa0;2-phenylpyridine) containing a thiocyanate and an isocyanide ligand is prepared and structurally characterized, its photophysical properties are studied. Complex <b>I</b> in a CDCl<sub>3</sub> solution exists as an equilibrium mixture of S- and N-coordinated isomers. In the solid phase, only the N-isomer forming the <b>I</b>·CHCl<sub>3</sub> (CCDC 2515278) and <b>I</b>·CH<sub>2</sub>Cl<sub>2</sub> (CCDC 2515279) solvate is detected upon crystallization from CHCl<sub>3</sub> or CH<sub>2</sub>Cl<sub>2</sub>. In crystals, molecules of <b>I</b> form supramolecular chains stabilized by short Pt⋯Pt metallophilic contacts and I⋯S halogen bonds. Complex <b>I</b> exhibits green-yellow luminescence in the solution and red excimer emission in the solid state.</p>

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Synthesis, Structure, and Luminescence of N-Coordinated Thiocyanate Platinum(II) Complex Stabilized by Halogen Bonds

  • 期刊论文

  • 发表日期：

    2026年3月1日

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  • E. V. Antonova,
  • M. A. Kinzhalov

摘要

Abstract

A new cyclometalated platinum(II) complex [Pt(ppy)(SCN)(CNC6H3-2-F-4-I)] (I, Hppy = 2-phenylpyridine) containing a thiocyanate and an isocyanide ligand is prepared and structurally characterized, its photophysical properties are studied. Complex I in a CDCl3 solution exists as an equilibrium mixture of S- and N-coordinated isomers. In the solid phase, only the N-isomer forming the I·CHCl3 (CCDC 2515278) and I·CH2Cl2 (CCDC 2515279) solvate is detected upon crystallization from CHCl3 or CH2Cl2. In crystals, molecules of I form supramolecular chains stabilized by short Pt⋯Pt metallophilic contacts and I⋯S halogen bonds. Complex I exhibits green-yellow luminescence in the solution and red excimer emission in the solid state.