The preparation of sodium isopropyl(trimethylsilyl)amide (NaPTA), sodium (1-phenylethyl)(trimethylsilyl)amide (NaPETA), sodium -butyl(trimethylsilyl)amide (NaBTA), and isotopologues [N]NaPTA and [N]NaBTA are described. Solution structural studies using a combination of Si NMR spectroscopy, the Method of Continuous Variations, and density functional theory computations provided insights into aggregation and solvation in a range of solvents including toluene, ,-dimethylethylamine, triethylamine, MTBE, THF, 1,2-dimethoxyethane (DME), diglyme, ,,','-tetramethylethylenediamine (TMEDA), ,,','-tetramethylcyclohexanediamine (TMCDA), ,,',″,″-pentamethyldiethylenetriamine (PMDTA). 12-crown-4, 15-crown-5, and 18-crown-6 revealed solvent- and substituent-dependent dimer-monomer mixtures with affiliated solvation numbers.
View Article and Find Full Text PDFAntimicrob Steward Healthc Epidemiol
October 2024
Solution structures of potassium hexamethyldisilazide [KHMDS] and labeled [N]KHMDS were examined using a number of analytical methods including Si NMR spectroscopy and density functional theory computations. A combination of N-Si couplings, Si chemical shifts, and the method of continuous variations reveals dimers, monomers, and ion pairs. Weakly coordinating monofunctional ligands such as toluene, -dimethylethylamine, and EtN afford exclusively dimers.
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