Potassium Hexamethyldisilazide (KHMDS): Solvent-Dependent Solution Structures.

ABSTRACT: Solution structures of potassium hexamethyldisilazide [KHMDS] and labeled [¹⁵N]KHMDS were examined using a number of analytical methods including ²⁹Si NMR spectroscopy and density functional theory computations. A combination of ¹⁵N-²⁹Si couplings, ²⁹Si chemical shifts, and the method of continuous variations reveals dimers, monomers, and ion pairs. Weakly coordinating monofunctional ligands such as toluene, N,N-dimethylethylamine, and Et₃N afford exclusively dimers. 1,3-Dioxolane, THF, dimethoxyethane, hexamethylphosphoramide, and diglyme provide dimers at low ligand concentrations and monomers at high ligand concentrations. N,N,N',N'-Tetramethylethylenediamine and N,N,N',N'-tetramethylcyclohexanediamin

SUBMITTER: Spivey JA 

PROVIDER: S-EPMC11373885 | biostudies-literature | 2024 Jul

REPOSITORIES: biostudies-literature