Strategic MOF Linker Methylation: Solid-State NMR Data for Pore Structure and Dynamics

Deepika Rani's dataset, uploaded to figshare in May 2026, contains data related to the synthesis and analysis of a methylated derivative of the metal-organic framework NU-1000. The 1.2 MB dataset includes results from mechanochemical Suzuki cross-coupling and variable-temperature 13C solid-state NMR experiments. These experiments were used to study how linker methylation controls local dynamics and pore structure evolution within the MOF.

Use Cases

• Analyzing the relationship between linker methylation and pore structure evolution based on the described window-to-micropore transformation.
• Modeling local molecular dynamics and rotational barriers in MOFs based on variable-temperature solid-state NMR data.
• Studying the effects of synthetic techniques like mechanochemical coupling on producing sterically hindered linkers for MOF synthesis.
• Investigating the balance between preorganization and flexibility in synthetic porous hosts for optimizing host-guest interactions.

Strengths

• Dataset is licensed under CC-BY-NC-4.0, permitting non-commercial sharing and adaptation.
• Includes data from advanced characterization techniques like variable-temperature 13C solid-state NMR.
• Focuses on a specific, strategically modified derivative of the well-known MOF NU-1000.

Limitations

• Row count and column-level documentation are unknown, requiring manual inspection after download.
• The 1.2 MB size indicates a relatively small dataset, which may limit the scope of analysis.
• Description metadata is limited; actual data quality and structure require verification.

Provenance

Source

figshare

Collection Method

Data generated from laboratory synthesis (mechanochemical Suzuki cross-coupling) and characterization (solid-state NMR) of a modified metal-organic framework.

Time Range

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Freshness

Last updated 2026-05-04 14:38:20; freshness should be verified.

Geography

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