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Abstract <p>A novel organic-inorganic hybrid compound, [H<sub>3</sub>L][MnBr<sub>4</sub>]∙[H<sub>2</sub>O] <b>1</b>, with the protonated 1-hydroxy-4-methyl-2-(pyridin-2-yl)-5-phenylimidazole has been synthesized. Single crystal X-ray diffraction reveals that <b>1</b> crystallizes in the noncentrosymmetric space group <i>Pca</i>2<sub>1</sub>, with crystals exhibiting opposite polar orientations. The crystal structure is stabilized by non-covalent interactions, including intermolecular OH⋯O, CH⋯Br, and Br⋯Br contacts and an intramolecular NH⋯O hydrogen bond. Based on QTAIM analyses, the strong OH⋯O contact (40.2&#xa0;kcal/mol) between the {[H<sub>3</sub>L]}<sup>2+</sup> and {[H<sub>2</sub>O]}<sup>0</sup> moieties suggests a potential pathway for proton transfers, leading to the formation of metastable {[H<sub>2</sub>L][HBrMnBr<sub>3</sub>][H<sub>2</sub>O]} state. Electron paramagnetic resonance spectroscopy shows that the Mn(II) ions have a <sup>6</sup><i>A</i><sub>1</sub>(<b>S</b>) ground state with an axial zero-field splitting (|<i>D</i>|&#xa0;=&#xa0;2250&#xa0;MHz). Compound&#xa0;<b>1</b> exhibits multi-band, excitation wavelength-dependent photoluminescence in the visible region. This emission is attributed to both <i>d</i>–<i>d</i> transitions within the [MnBr<sub>4</sub>]<sup>2–</sup> anion and transitions within the organic cation, which are coupled <i>via</i> the non-covalent interactions. The unique structure and tunable dual-emission properties, mediated by proton-transfer processes, suggest the potential application of <b>1</b> in smart optical devices.</p>

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Switching Colors: Multiple Emission in a Manganese(II) Bromide Compound

  • 期刊论文

  • 发表日期：

    2026年4月1日

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  • A. S. Berezin,
  • A. M. Danilenko,
  • A. S. Sukhikh,
  • B. A. Selivanov,
  • A. Y. Komarovskikh

摘要

Abstract

A novel organic-inorganic hybrid compound, [H3L][MnBr4]∙[H2O] 1, with the protonated 1-hydroxy-4-methyl-2-(pyridin-2-yl)-5-phenylimidazole has been synthesized. Single crystal X-ray diffraction reveals that 1 crystallizes in the noncentrosymmetric space group Pca21, with crystals exhibiting opposite polar orientations. The crystal structure is stabilized by non-covalent interactions, including intermolecular OH⋯O, CH⋯Br, and Br⋯Br contacts and an intramolecular NH⋯O hydrogen bond. Based on QTAIM analyses, the strong OH⋯O contact (40.2 kcal/mol) between the {[H3L]}2+ and {[H2O]}0 moieties suggests a potential pathway for proton transfers, leading to the formation of metastable {[H2L][HBrMnBr3][H2O]} state. Electron paramagnetic resonance spectroscopy shows that the Mn(II) ions have a 6A1(S) ground state with an axial zero-field splitting (|D| = 2250 MHz). Compound 1 exhibits multi-band, excitation wavelength-dependent photoluminescence in the visible region. This emission is attributed to both d–d transitions within the [MnBr4]2– anion and transitions within the organic cation, which are coupled via the non-covalent interactions. The unique structure and tunable dual-emission properties, mediated by proton-transfer processes, suggest the potential application of 1 in smart optical devices.