Copper oxidation state in chalcopyrite: Mixed Cu d9 and d10 characteristics

C. I. Pearce; R. A D Pattrick; D. J. Vaughan; C. M B Henderson; G. van der Laan

doi:10.1016/j.gca.2006.05.017

Copper oxidation state in chalcopyrite: Mixed Cu d9 and d10 characteristics

C. I. Pearce, R. A D Pattrick, D. J. Vaughan, C. M B Henderson, G. van der Laan

Dalton Nuclear Institute

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Abstract

The determination of the oxidation states of copper and iron in sulfides, and chalcopyrite (CuFeS2) in particular, using 2p X-ray photoemission spectroscopy (XPS) and L2,3-edge X-ray absorption spectroscopy (XAS) is revisited. Reassessment of the published spectra derived by these methods produces consistent results and reveals the 'd count' in the copper compounds to be intermediate between d9 and d10. Nevertheless, these covalent copper compounds can be divided into those nominally monovalent and those nominally divalent. The Fe L2,3-edge XAS of chalcopyrite, along with Mössbauer data, confirm the presence of high-spin Fe3+. Chalcopyrite, despite recent published reports to the contrary, clearly belongs to the monovalent copper class. © 2006 Elsevier Inc. All rights reserved.

Original language	English
Pages (from-to)	4635-4642
Number of pages	7
Journal	Geochimica et Cosmochimica Acta
Volume	70
Issue number	18
DOIs	https://doi.org/10.1016/j.gca.2006.05.017
Publication status	Published - 15 Sept 2006

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title = "Copper oxidation state in chalcopyrite: Mixed Cu d9 and d10 characteristics",

abstract = "The determination of the oxidation states of copper and iron in sulfides, and chalcopyrite (CuFeS2) in particular, using 2p X-ray photoemission spectroscopy (XPS) and L2,3-edge X-ray absorption spectroscopy (XAS) is revisited. Reassessment of the published spectra derived by these methods produces consistent results and reveals the 'd count' in the copper compounds to be intermediate between d9 and d10. Nevertheless, these covalent copper compounds can be divided into those nominally monovalent and those nominally divalent. The Fe L2,3-edge XAS of chalcopyrite, along with M{\"o}ssbauer data, confirm the presence of high-spin Fe3+. Chalcopyrite, despite recent published reports to the contrary, clearly belongs to the monovalent copper class. {\textcopyright} 2006 Elsevier Inc. All rights reserved.",

author = "Pearce, {C. I.} and Pattrick, {R. A D} and Vaughan, {D. J.} and Henderson, {C. M B} and {van der Laan}, G.",

year = "2006",

month = sep,

day = "15",

doi = "10.1016/j.gca.2006.05.017",

language = "English",

volume = "70",

pages = "4635--4642",

journal = "Geochimica et Cosmochimica Acta",

issn = "0016-7037",

publisher = "Elsevier BV",

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TY - JOUR

T1 - Copper oxidation state in chalcopyrite: Mixed Cu d9 and d10 characteristics

AU - Pearce, C. I.

AU - Pattrick, R. A D

AU - Vaughan, D. J.

AU - Henderson, C. M B

AU - van der Laan, G.

PY - 2006/9/15

Y1 - 2006/9/15

N2 - The determination of the oxidation states of copper and iron in sulfides, and chalcopyrite (CuFeS2) in particular, using 2p X-ray photoemission spectroscopy (XPS) and L2,3-edge X-ray absorption spectroscopy (XAS) is revisited. Reassessment of the published spectra derived by these methods produces consistent results and reveals the 'd count' in the copper compounds to be intermediate between d9 and d10. Nevertheless, these covalent copper compounds can be divided into those nominally monovalent and those nominally divalent. The Fe L2,3-edge XAS of chalcopyrite, along with Mössbauer data, confirm the presence of high-spin Fe3+. Chalcopyrite, despite recent published reports to the contrary, clearly belongs to the monovalent copper class. © 2006 Elsevier Inc. All rights reserved.

AB - The determination of the oxidation states of copper and iron in sulfides, and chalcopyrite (CuFeS2) in particular, using 2p X-ray photoemission spectroscopy (XPS) and L2,3-edge X-ray absorption spectroscopy (XAS) is revisited. Reassessment of the published spectra derived by these methods produces consistent results and reveals the 'd count' in the copper compounds to be intermediate between d9 and d10. Nevertheless, these covalent copper compounds can be divided into those nominally monovalent and those nominally divalent. The Fe L2,3-edge XAS of chalcopyrite, along with Mössbauer data, confirm the presence of high-spin Fe3+. Chalcopyrite, despite recent published reports to the contrary, clearly belongs to the monovalent copper class. © 2006 Elsevier Inc. All rights reserved.

U2 - 10.1016/j.gca.2006.05.017

DO - 10.1016/j.gca.2006.05.017

M3 - Article

SN - 0016-7037

VL - 70

SP - 4635

EP - 4642

JO - Geochimica et Cosmochimica Acta

JF - Geochimica et Cosmochimica Acta

IS - 18

ER -

Copper oxidation state in chalcopyrite: Mixed Cu d9 and d10 characteristics

Abstract

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