Critically Selected Stability Constants for Metal Complexes and Ligands

Version 8.0 of this NIST database contains 225 additional ligands and features revisions to 30% of previous data entries. It provides critically selected stability constants for interactions in aqueous systems involving organic and inorganic ligands, protons, and metal ions. The database is maintained by the National Institute of Standards and Technology and was last updated in July 2022.

Use Cases

• Calculate equilibrium concentrations in aqueous systems using stability constants for metal-ligand interactions.
• Model speciation and solubility in geochemical or environmental systems based on constants for protons and metal ions.
• Validate computational chemistry models by comparing predicted stability constants with the critically selected experimental values.
• Analyze trends in ligand binding affinity across different metal ions using the database's compiled interaction data.

Strengths

• Contains 225 additional ligands compared to previous versions, expanding coverage.
• 30% of the data from prior versions has been revised and upgraded based on new literature.
• All data is critically selected for accuracy and consistency, as per NIST standard reference protocols.
• Provides comprehensive coverage of interactions for aqueous systems of organic and inorganic ligands.

Limitations

• Specific row counts and column structures are not provided in the input, making initial data assessment difficult.
• The primary file formats include executable files and PDFs, which may require specific tools or environments for full access compared to common tabular formats.
• The description does not specify the exact number of total ligands or data points, limiting precise understanding of scale.

Provenance

Source

National Institute of Standards and Technology (NIST).

Collection Method

Critically selected compilation from scientific literature, based on the six-volume 'Critical Stability Constants' by Martell and Smith.

Freshness

Last updated on 2022-07-29.