Kinetic and Thermodynamic Investigation into the Formation of Diol-Boric Acid Complexes Using NMR and Computational Analysis.

ABSTRACT: Boric acid (BA) readily forms reversible covalent B-O bonds with diols, yielding complexes with broad implications for drug delivery, materials science, and polymer chemistry. While this chemistry is well-established in aqueous environments, little is known about the formation of neutral boron complexes with BA in organic solvents. Here, we describe a spectroscopic and theoretical study of the complexation of diols with BA in DMSO. NMR spectroscopy was used to evaluate the formation of complexes for three structurally distinct diols: ethylene glycol (EG), 1,3-propanediol (PD), and 1,4-butanediol (BD). Results indicate that with BA, PD forms the most closed B-O complex, while EG forms a mixture of open and closed B-O species, and BD forms only small amounts of the open diol-BA complex. Thes

SUBMITTER: Davidson BL 

PROVIDER: S-EPMC12658599 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature