A new mixed-valence CuI/CuII three-dimensional coordination polymer constructed with an N,O-donor ligand generated via solvothermal synthesis: structural features and magnetic properties

Andrzej Kochel; Małgorzata Hołyńska; Kamil Twaróg; Aneta Jezierska; Jarosław J Panek; Jacek Wojaczyński

doi:10.1107/S2053229622005812

A new mixed-valence Cu^I/Cu^II three-dimensional coordination polymer constructed with an N,O-donor ligand generated via solvothermal synthesis: structural features and magnetic properties

Acta Crystallogr C Struct Chem. 2022 Jul 1;78(Pt 7):405-413. doi: 10.1107/S2053229622005812. Epub 2022 Jun 26.

Authors

Andrzej Kochel¹, Małgorzata Hołyńska², Kamil Twaróg¹, Aneta Jezierska¹, Jarosław J Panek¹, Jacek Wojaczyński¹

Affiliations

¹ Department of Chemistry, Wrocław University, F. Joliot Curie 14, 50-383 Wrocław, Poland.
² Fachbereich Chemie and Wissenschaftliches Zentrum für Materialwissenschaften, Philipps-Universität Marburg, Hans-Meerwein-Strasse, D-35043 Marburg, Germany.

PMID: 35788505
DOI: 10.1107/S2053229622005812

Abstract

A new mixed-valence Cu^I/Cu^II three-dimensional coordination polymer, poly[[diaquabis[μ₄-2-(pyrazin-2-yl)quinoline-4-carboxylato]dicopper(I)copper(II)] bis(tetrafluoridoborate)], {[Cu₃(C₁₄H₈N₃O₂)₂(H₂O)₂](BF₄)₂}_n, was synthesized and characterized, with 2-(pyrazin-2-yl)quinoline-4-carboxylic acid being employed as a linker ligand. The ligand was isolated as its hydrochloride salt, 4-carboxy-2-(pyrazin-2-yl)quinolin-1-ium chloride dihydrate, C₁₄H₁₀N₃O₂⁺·Cl^-·2H₂O. The compounds show luminescence at 550 nm for the ligand and at 565 nm for the polymer at 297 K. The ligand structure was rationalized by means of quantum-chemical calculations, which led to a similar conformation to that determined from X-ray diffraction studies.

Keywords: coordination polymer; crystal structure; magnetic properties; photoluminescence; quantum–chemical calculations; quinolinecarboxylic acid; quinolinium chloride.