Dithiosilacarboxylate Dimer: Molecular Structure and Spectroscopic Data

Synthesis and structural characterization of a terphenyl-substituted lithium dithiosilacarboxylate dimer are presented. Its molecular structure was determined by single-crystal X-ray diffraction, revealing a cis-geometry for the Si2S2 core. Spectroscopic analyses suggest the dimer does not dissociate homolytically in solution, even at high temperatures.

Use Cases

• Validate computational models of silicon-sulfur bond geometry based on the provided X-ray crystal structure.
• Study the stability of dithiosilacarboxylate dimers in solution based on the spectroscopic analysis results.
• Compare the reactivity of lithium dithiosilacarboxylate with methyl iodide based on the described synthesis pathway.

Strengths

• Molecular structure was determined by single-crystal X-ray diffraction analysis.
• Spectroscopic analyses were performed to assess solution behavior.
• Dataset is shared under the CC-BY-NC-4.0 license for non-commercial reuse.

Limitations

• Dataset size is 23.3 KB, indicating a very limited scope focused on a single compound.
• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.

Provenance

Source

figshare, authored by Shugo Tasaki.

Collection Method

Experimental synthesis and characterization via X-ray diffraction and spectroscopy.

Freshness

Last updated 2026-04-19 16:04:56; freshness should be verified.