Homo-valent diruthenium(ii,ii) carbonates Na4[Ru2(CO3)4]·10H2O: synthesis, structure, properties, and calculation

Homo-valent diruthenium(ii,ii) carbonates have been underexplored hitherto. This paper reports the synthesis and crystal structure of a diruthenium(ii,ii) compound, Na4Ru2(CO3)4·10H2O (1). It has a two-dimensional structure in which the paddle-wheel diruthenium units of Ru2(CO3)44− are cross-linked...

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Bibliographic Details
Published in:Dalton transactions : an international journal of inorganic chemistry 2023-01, Vol.52 (5), p.1316-1322
Main Authors: Jing-Yu, Li, Zhang, Pei, Jian-Hui, Yang, Liu, Bin
Format: Article
Language:English
Subjects:
Antiferromagnetism
Carbonates
Crystal structure
Density functional theory
Electrons
Magnetic properties
Mathematical analysis
Synthesis
Wavelengths
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Summary:Homo-valent diruthenium(ii,ii) carbonates have been underexplored hitherto. This paper reports the synthesis and crystal structure of a diruthenium(ii,ii) compound, Na4Ru2(CO3)4·10H2O (1). It has a two-dimensional structure in which the paddle-wheel diruthenium units of Ru2(CO3)44− are cross-linked through the carbonate groups. The investigation of the primary magnetic properties and theoretical studies with density functional theory (DFT) reveal that weak antiferromagnetic interactions are propagated between the Ru2 units which contain two unpaired electrons in an electron configuration σ2π4δ2π*2δ*2 with a ground state S = 1. According to Raman spectrum measurements combined with theoretical calculations, the strong peak at 356 cm−1 in the small-wavenumber region was assigned to the stretching of the Ru–Ru double bonds.
ISSN:1477-9226
1477-9234
DOI:10.1039/d2dt03846c