Coordination Geometry and Thermal Behavior of Alkaline-Earth Beta-Diketonate Complexes

A series of alkaline-earth beta-diketonate complexes derived from 2-thenoyltrifluoroacetone and 2-methylimidazole was synthesized to study metal ion influence. Single-crystal X-ray diffraction data reveals coordination geometries for Ca, Sr, and Ba complexes, while spectroscopic and thermogravimetric analysis provides data for Mg. The dataset was authored by José Manuel Bravo-Arredondo and last updated on May 6, 2026.

Use Cases

• Modeling coordination geometry based on metal ionic radius using crystallographic data.
• Predicting thermal decomposition behavior based on the metal ion using thermogravimetric analysis data.
• Analyzing spectroscopic signatures of ligand coordination modes using infrared spectroscopy data.

Strengths

• Includes single-crystal X-ray diffraction data revealing specific coordination geometries for Ca, Sr, and Ba complexes.
• Contains systematic measurements like average M–O bond lengths (Ca–O 2.38 Å; Ba–O 2.74 Å) and unit-cell volume.
• Provides complementary infrared spectroscopy and thermogravimetric analysis data across the metal series.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• Mg–TTA complex yielded only microcrystalline material unsuitable for full structural resolution.

Provenance

Source

figshare

Collection Method

Experimental synthesis and analysis including single-crystal X-ray diffraction, infrared spectroscopy, and thermogravimetric analysis.

Freshness

Last updated 2026-05-06 04:44:37; freshness should be verified.