Cadmium-Based Metal-Organic Framework Structures and Catalytic Activity

Two polynuclear cadmium(II)-based metal−organic framework complexes were synthesized and characterized. The dataset includes structural data from X-ray diffraction and computational analysis of non-covalent interactions, with catalytic activity tested for the Knoevenagel condensation reaction. The data was authored by Arijit Sadhukhan and last updated on 2026-05-14.

Use Cases

• Analyzing supramolecular network architectures based on hydrogen bonding and π-stacking interactions described in the study.
• Comparing the catalytic efficacy of different MOF structures for condensation reactions based on the reported room-temperature tests.
• Studying cooperativity effects in molecular assemblies using the provided energy calculations.
• Validating computational chemistry methods like DFT, QTAIM, and NCI plot analysis against the experimental structural data.

Strengths

• Includes experimental characterization data from multiple techniques: single crystal elemental analysis, X-ray diffraction, and thermogravimetric analysis.
• Provides computational analysis using density functional theory (DFT) to quantify non-covalent interactions.
• Catalytic performance is documented with a reported stability of up to four recyclable cycles.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The dataset is small at 1.4 MB, which may indicate limited scope.

Provenance

Source

figshare

Collection Method

Experimental synthesis and computational analysis as described.

Time Range

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Freshness

Last updated 2026-05-14 06:45:37; freshness should be verified.

Geography

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