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

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

3 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
Externally published	Yes

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

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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AU - Kong, Tai

AU - Xie, Weiwei

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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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