Switching colors: multiple emission in a manganese(II) bromide compound

ЖСХ, т.67, №4, 2026, 164080

Received: December, 8, 2025
Revised: January, 7, 2026
Accepted for publication: January, 11, 2026
DOI 10.26902/JSC_id164080
EDN: BUNKOV
Views: 173

¹ Институт неорганической химии им. А.В. Николаева СО РАН, Новосибирск, Россия

² Новосибирский институт органической химии им. Н.Н. Ворожцова СО РАН, Россия

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.

This is an excerpt of the article
Switching Colors: Multiple Emission in a Manganese(II) Bromide Compound.

Full text of the paper is published in Journal of Structural Chemistry.
DOI: 10.1134/S002247662604013X

Keywords: manganese(II), multiband luminescence, EPR, non-covalent interaction, proton transfer, DFT

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