Abstract
Copper hexathiometadiphosphate, Cu2P2S6, was synthesized and characterized. Brick-red copper hexathiometadiphosphate Cu2P2S6 crystallizes in the tetragonal space group P4(2)/mnm (no. 136) with a = b = 5.2565(7), c = 15.066(3) angstrom and V = 416.3(1) angstrom(3) in a novel structure type. This is the first hexathiometadiphosphate, whose crystal structure is based on a slightly distorted cubic closest packing of sulfur atoms. 1/3 of the tetrahedral voids are occupied by Cu and P in an ordered fashion, thus resulting in a layered structure. The structural motif of layers composed of corner-sharing CuS4 tetrahedra (comparable to red HgI2) that are separated by [P2S6](2-) anions orientated perpendicular to these layers, is rarely found in solid state chemistry. The compound is diamagnetic and shows negligible electronic conductivity. Electronic structure calculations and UV/Vis measurements point to a bandgap in the visible range and explain the red color of the compound. Additionally, the oxidation state +1 for Cu was confirmed by the electronic structure calculations. The thermal properties of Cu2P2S6 were investigated by DTA.
Item Type: | Journal article |
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Faculties: | Chemistry and Pharmacy > Department of Chemistry |
Subjects: | 500 Science > 540 Chemistry |
ISSN: | 0044-2313 |
Language: | English |
Item ID: | 48372 |
Date Deposited: | 27. Apr 2018, 08:15 |
Last Modified: | 04. Nov 2020, 13:25 |