Property-Tuned, Defective, and Amorphous MOF Adsorbents via Ligand Tethering

An amorphous propyl-tethered Cu-oligoDMOF-1 material exhibits an exceptionally high BET surface area of 941 m²g⁻¹ and a greatly enhanced CO₂ affinity. This dataset from figshare contains experimental results for a series of metal-organic frameworks synthesized using flexible alkyl-tethered ligand dimers. The data, authored by Debobroto Sensharma and last updated in May 2026, likely includes measurements of crystallinity, porosity, and adsorption performance.

Use Cases

• Predicting CO₂ adsorption selectivity based on ligand tether length and framework defectivity.
• Training models to correlate synthetic parameters with material properties like crystallinity and thermal stability.
• Benchmarking computational simulations of metal-organic framework structures against experimental uED and PXRD data.
• Analyzing the relationship between coordinative unsaturation and gas adsorption affinity.

Strengths

• Includes a specific, high-performing material with a BET surface area of 941 m²g⁻¹ and a CO₂ isosteric heat of adsorption (Q_st) of 26.8 kJ mol⁻¹.
• Systematically varies a key synthetic parameter (alkyl tether length from propyl to heptyl) and reports multiple characterization results.
• Combines experimental techniques (microcrystal electron diffraction, PXRD, spectroscopy, thermal analysis) with periodic DFT calculations.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• The dataset is very small at 105.5 KB, indicating limited scope.

Provenance

Source

Debobroto Sensharma via figshare

Collection Method

Synthesized via covalent tethering of ligands prior to MOF self-assembly, characterized with uED, PXRD, spectroscopy, thermal analysis, and DFT calculations.

Freshness

Last updated 2026-05-27 04:13:43; freshness should be verified.