Li4Ru2OCl10.10H2O: Crystal structure, magnetic properties and bonding interactions in ruthenium-oxo complexes

Ranuri S. Dissanayaka Mudiyanselage; Madalynn Marshall; Tai Kong; Weiwei Xie

doi:10.1107/S2052520620010914

Li₄Ru₂OCl_10.10H₂O: Crystal structure, magnetic properties and bonding interactions in ruthenium-oxo complexes

Ranuri S. Dissanayaka Mudiyanselage, Madalynn Marshall, Tai Kong, Weiwei Xie

Physics

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

The results of the structural determination, magnetic characterization, and theoretical calculations of a new ruthenium-oxo complex, Li₄[Ru₂OCl₁₀].10H₂O, are presented. Single crystals were grown using solvent methods and the crystal structure was characterized by single crystal X-ray diffraction. Li₄[Ru₂OCl₁₀].10H₂O crystallizes into a low-symmetry triclinic structure (P1) due to the much smaller Li⁺ cation compared to K⁺ cation in the tetragonal complex K₄[Ru₂OCl₁₀].H₂O. The X-ray photoelectron spectra confirm only the single valent Ru⁴⁺ in Li₄[Ru₂OCl₁₀].10H₂O even though two distinct Ru sites exist in the crystal structure. Magnetic measurements reveal the diamagnetic property of Li₄[Ru₂OCl₁₀].10H₂O with unpaired electrons existing on Ru⁴⁺. Furthermore, the molecular orbital analysis matches well with the observed UV and magnetic measurements.

Original language	English (US)
Pages (from-to)	884-891
Number of pages	8
Journal	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
Volume	76
DOIs	https://doi.org/10.1107/S2052520620010914
State	Published - Oct 1 2020

Keywords

Bonding interactions
Crystal structure
Magnetic properties
Ruthenium-oxo complex

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Atomic and Molecular Physics, and Optics
Metals and Alloys
Materials Chemistry

Access to Document

10.1107/S2052520620010914

Cite this

Li₄Ru₂OCl_10.10H₂O: Crystal structure, magnetic properties and bonding interactions in ruthenium-oxo complexes. / Dissanayaka Mudiyanselage, Ranuri S.; Marshall, Madalynn; Kong, Tai et al.
In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, Vol. 76, 01.10.2020, p. 884-891.

Research output: Contribution to journal › Article › peer-review

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abstract = "The results of the structural determination, magnetic characterization, and theoretical calculations of a new ruthenium-oxo complex, Li4[Ru2OCl10].10H2O, are presented. Single crystals were grown using solvent methods and the crystal structure was characterized by single crystal X-ray diffraction. Li4[Ru2OCl10].10H2O crystallizes into a low-symmetry triclinic structure (P1) due to the much smaller Li+ cation compared to K+ cation in the tetragonal complex K4[Ru2OCl10].H2O. The X-ray photoelectron spectra confirm only the single valent Ru4+ in Li4[Ru2OCl10].10H2O even though two distinct Ru sites exist in the crystal structure. Magnetic measurements reveal the diamagnetic property of Li4[Ru2OCl10].10H2O with unpaired electrons existing on Ru4+. Furthermore, the molecular orbital analysis matches well with the observed UV and magnetic measurements.",

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note = "Funding Information: The following funding is acknowledged: National Science Foundation, Office of Integrative Activities (grant No. 1832967 to Weiwei Xie for work carried out at Louisiana State University). Madalynn Marshall was supported by the DOE Office of Science Graduate Student Research (SCGSR) Program and the US Department of Energy, Office of Science, Basic Energy Sciences, under EPSCoR grant No. DESC0012432 with additional support from the Louisiana Board of Regents. Publisher Copyright: {\textcopyright} 2020 International Union of Crystallography",

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N2 - The results of the structural determination, magnetic characterization, and theoretical calculations of a new ruthenium-oxo complex, Li4[Ru2OCl10].10H2O, are presented. Single crystals were grown using solvent methods and the crystal structure was characterized by single crystal X-ray diffraction. Li4[Ru2OCl10].10H2O crystallizes into a low-symmetry triclinic structure (P1) due to the much smaller Li+ cation compared to K+ cation in the tetragonal complex K4[Ru2OCl10].H2O. The X-ray photoelectron spectra confirm only the single valent Ru4+ in Li4[Ru2OCl10].10H2O even though two distinct Ru sites exist in the crystal structure. Magnetic measurements reveal the diamagnetic property of Li4[Ru2OCl10].10H2O with unpaired electrons existing on Ru4+. Furthermore, the molecular orbital analysis matches well with the observed UV and magnetic measurements.

AB - The results of the structural determination, magnetic characterization, and theoretical calculations of a new ruthenium-oxo complex, Li4[Ru2OCl10].10H2O, are presented. Single crystals were grown using solvent methods and the crystal structure was characterized by single crystal X-ray diffraction. Li4[Ru2OCl10].10H2O crystallizes into a low-symmetry triclinic structure (P1) due to the much smaller Li+ cation compared to K+ cation in the tetragonal complex K4[Ru2OCl10].H2O. The X-ray photoelectron spectra confirm only the single valent Ru4+ in Li4[Ru2OCl10].10H2O even though two distinct Ru sites exist in the crystal structure. Magnetic measurements reveal the diamagnetic property of Li4[Ru2OCl10].10H2O with unpaired electrons existing on Ru4+. Furthermore, the molecular orbital analysis matches well with the observed UV and magnetic measurements.

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