Base-Coordinated 1,4-Disilaquinones: Synthesis and DFT Analysis

Two novel silicon analogues of quinones were synthesized via dimerization of ketenyl-substituted silylenes. X-ray crystallography and density functional theory (DFT) calculations revealed the planar but unsymmetrical structure and unusual bonding of the disilaquinone core. The dataset, authored by Leif Kelling and last updated in May 2026, is a 11.9 KB file from figshare.

Use Cases

• Validate computational models of silicon-based quinone analogues based on the reported DFT calculations.
• Study the relationship between molecular structure and thermal stability based on the described disilaquinone core.
• Analyze reactivity patterns of novel organosilicon compounds based on described interactions with Lewis or Brønsted acids.
• Benchmark crystallographic data for planar, six-membered heterocyclic silicon compounds.

Strengths

• Includes results from X-ray crystallography and density functional theory (DFT) calculations.
• Describes the synthesis of two specific, previously unexplored base-coordinated 1,4-disilaquinones.
• The disilaquinone core is noted for its remarkable thermal and chemical stability.

Limitations

• Dataset is extremely small at 11.9 KB, indicating limited scope.
• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.

Provenance

Source

figshare

Collection Method

Synthesis and computational analysis reported in the associated research.

Freshness

Last updated 2026-05-13 23:46:46; freshness should be verified.