Measurement of the pK_a Values of Organic Molecules in Aqueous-Organic Solvent Mixtures by ¹H NMR without External Calibrants.

ABSTRACT: Aqueous-organic solvent mixtures are commonly used for reactions or analyses, where the components of a system are insoluble in pure water. The acid dissociation constant is an important property to measure in these media as it determines the charge state, solubility, and reactivity of a molecule. While NMR spectroscopy is an established tool for the measurement of pK_a in water, its use in aqueous-organic solvents is greatly hindered by the requirement for external calibrants on which a working pH scale is set. Such calibrants include buffer solutions, "anchor" molecules with known pK_a values, and pH electrodes that have undergone lengthy calibration procedures in the solvent mixture of interest. However, such calibrations are often inconvenient to perfo

SUBMITTER: Wallace M 

PROVIDER: S-EPMC10603606 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature