Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of the coordination compound tetraaquabis{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetato-κO}cobalt(II)
2025
Study of a Cobalt Coordination Compound
publication
Evidence: moderate
Author Information
Author(s): Kinshakova Ekaterina, Torambetov Batirbay, Kaur Simranjeet, Ashurov Jamshid, Kadirova Shakhnoza
Primary Institution: National University of Uzbekistan named after Mirzo Ulugbek
Hypothesis
The study investigates the synthesis and properties of a new cobalt coordination compound.
Conclusion
The synthesized cobalt(II) complex exhibits a stable crystal structure with significant hydrogen bonding interactions.
Supporting Evidence
- The cobalt(II) ion is octahedrally coordinated by two ligands and four water molecules.
- Hirshfeld surface analysis showed significant hydrogen bonding interactions.
- DFT calculations indicated the stability and reactivity of the compound.
Takeaway
Scientists made a new cobalt compound and looked at how its atoms are arranged and how they interact with each other.
Methodology
The compound was synthesized from Co(NO3)2 and a ligand in a controlled pH environment, followed by X-ray diffraction analysis.
Digital Object Identifier (DOI)
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