journal article·2025-05-24Open access

Sodium Dithiocuprate(I) Dodecahydrate [Na3(H2O)12][CuS2], the First Crystal Structure of an Exclusively H-Bonded Dithiocuprate(I) Ion, and Its Formation in the Alkaline Sulfide Treatment of Copper Ore Concentrates

Jörg Wagler, Karsten Meiner, Florian Gattnar, Alexandra Thiere, Michael Stelter, Alexandros Charitos

Crystals· Volume 15· Issue 6

Abstract

This article presents the single-crystal structure of the complex salt sodium dithiocuprate(I) dodecahydrate Na3CuS2·12(H2O), i.e., [Na3(H2O)12][CuS2], which forms in the high-sulfide concentrations of the alkaline solutions used for arsenic separation from copper concentrates. It features a linear hydrogen-bonded dithiocuprate(I) anion, a novelty in crystallographically characterized thiocuprates. During the study of the alkaline sulfide leaching of Chilean copper concentrates, an analytical investigation of the solution led to the detection of this complex. This study aimed to understand the chemical behavior of the leaching solution by identifying existing ions, which facilitated the discovery of the complex using single-crystal analysis. The newly discovered complex was also synthesized from a modeling solution based on the leaching solution recipe for arsenic removal, allowing for further crystal characterization through Raman and XRD analysis. By estimating the sodium sulfide threshold concentration that enhanced the formation of the copper disulfide complex, this study defined the upper technical threshold limit of sulfide concentration for the economic development of alkaline sulfide leaching to remove arsenic.
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Research context

OpenAlex topics: Metal Extraction and Bioleaching · Mine drainage and remediation techniques · Crystal Structures and Properties

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Institut für Anorganische Chemie, TU Bergakademie Freiberg, 09599 Freiberg, Germany

Institut für Nichteisenmetallurgie und Reinststoffe, TU Bergakademie Freiberg, Leipziger Str. 34, 09599 Freiberg, Germany

Funding

Federal Ministry of Education and Research (BMBF)

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