Crystal Growth, Structure, and Noninteracting Quantum Spins in Cyanochroite, K(2)Cu(SO(4))(2)·6H(2)O

[Image: see text] The rare mineral cyanochroite, K(2)Cu(SO(4))(2)·6H(2)O, features isolated Cu(2+) ions in distorted octahedral coordination, linked via a hydrogen-bond network. We have grown single crystals of cyanochroite as large as ∼0.5 cm(3) and investigated structural and magnetic aspects of t...

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Autores principales: Peets, Darren C., Avdeev, Maxim, Rahn, Marein C., Pabst, Falk, Granovsky, Sergey, Stötzer, Markus, Inosov, Dmytro S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8851620/
https://www.ncbi.nlm.nih.gov/pubmed/35187329
http://dx.doi.org/10.1021/acsomega.1c06143
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author Peets, Darren C.
Avdeev, Maxim
Rahn, Marein C.
Pabst, Falk
Granovsky, Sergey
Stötzer, Markus
Inosov, Dmytro S.
author_facet Peets, Darren C.
Avdeev, Maxim
Rahn, Marein C.
Pabst, Falk
Granovsky, Sergey
Stötzer, Markus
Inosov, Dmytro S.
author_sort Peets, Darren C.
collection PubMed
description [Image: see text] The rare mineral cyanochroite, K(2)Cu(SO(4))(2)·6H(2)O, features isolated Cu(2+) ions in distorted octahedral coordination, linked via a hydrogen-bond network. We have grown single crystals of cyanochroite as large as ∼0.5 cm(3) and investigated structural and magnetic aspects of this material. The positions of hydrogen atoms deviate significantly from those reported previously based on X-ray diffraction data, whereas the magnetic response is fully consistent with free Cu(2+) spins. The structure is not changed by deuteration. Density functional theory calculations support our refined hydrogen positions.
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spelling pubmed-88516202022-02-18 Crystal Growth, Structure, and Noninteracting Quantum Spins in Cyanochroite, K(2)Cu(SO(4))(2)·6H(2)O Peets, Darren C. Avdeev, Maxim Rahn, Marein C. Pabst, Falk Granovsky, Sergey Stötzer, Markus Inosov, Dmytro S. ACS Omega [Image: see text] The rare mineral cyanochroite, K(2)Cu(SO(4))(2)·6H(2)O, features isolated Cu(2+) ions in distorted octahedral coordination, linked via a hydrogen-bond network. We have grown single crystals of cyanochroite as large as ∼0.5 cm(3) and investigated structural and magnetic aspects of this material. The positions of hydrogen atoms deviate significantly from those reported previously based on X-ray diffraction data, whereas the magnetic response is fully consistent with free Cu(2+) spins. The structure is not changed by deuteration. Density functional theory calculations support our refined hydrogen positions. American Chemical Society 2022-02-02 /pmc/articles/PMC8851620/ /pubmed/35187329 http://dx.doi.org/10.1021/acsomega.1c06143 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Peets, Darren C.
Avdeev, Maxim
Rahn, Marein C.
Pabst, Falk
Granovsky, Sergey
Stötzer, Markus
Inosov, Dmytro S.
Crystal Growth, Structure, and Noninteracting Quantum Spins in Cyanochroite, K(2)Cu(SO(4))(2)·6H(2)O
title Crystal Growth, Structure, and Noninteracting Quantum Spins in Cyanochroite, K(2)Cu(SO(4))(2)·6H(2)O
title_full Crystal Growth, Structure, and Noninteracting Quantum Spins in Cyanochroite, K(2)Cu(SO(4))(2)·6H(2)O
title_fullStr Crystal Growth, Structure, and Noninteracting Quantum Spins in Cyanochroite, K(2)Cu(SO(4))(2)·6H(2)O
title_full_unstemmed Crystal Growth, Structure, and Noninteracting Quantum Spins in Cyanochroite, K(2)Cu(SO(4))(2)·6H(2)O
title_short Crystal Growth, Structure, and Noninteracting Quantum Spins in Cyanochroite, K(2)Cu(SO(4))(2)·6H(2)O
title_sort crystal growth, structure, and noninteracting quantum spins in cyanochroite, k(2)cu(so(4))(2)·6h(2)o
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8851620/
https://www.ncbi.nlm.nih.gov/pubmed/35187329
http://dx.doi.org/10.1021/acsomega.1c06143
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