In Situ Generation of a Coordinatively Unsaturated Nickel Site Enabling Reversible H<sub>2

8.9 KB of data from a study on a solid-state hydrogen sorption material based on a square-planar nickel dihydrogen complex. The work demonstrates reversible Langmuir-type H2 adsorption between 323 and 343 K with a binding enthalpy of −61.0 ± 0.9 kJ mol–1. The dataset was authored by Shunya Tanaka and last updated on May 13, 2026.

Use Cases

• Modeling reversible hydrogen sorption thermodynamics based on the described nickel complex.
• Analyzing solid-state hydrogen storage material performance based on the reported adsorption temperatures and enthalpy.
• Benchmarking computational chemistry methods against the DFT analysis of H2O vs. H2 coordination preferences.
• Designing molecularly engineered hydrogen sorbents based on the demonstrated square-planar d8 system.

Strengths

• Dataset is associated with a peer-reviewed scientific study demonstrating a novel hydrogen storage mechanism.
• The description provides specific thermodynamic data, including a binding enthalpy of −61.0 ± 0.9 kJ mol–1.

Limitations

• The dataset is very small at 8.9 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

Experimental data from a chemistry research study.

Freshness

Last updated 2026-05-13 20:03:30; freshness should be verified.