期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 142, 期 15, 页码 6852-6855出版社
AMER CHEMICAL SOC
DOI: 10.1021/jacs.0c00331
关键词
-
资金
- National Institutes of Health [GM131713]
Si-29 NMR spectroscopy, the method of continuous variations, and density functional theory computations show that sodium hexamethyldisilazide (NaHMDS) is a disolvated dimer in toluene, a mixture of disolvated dimer and tetrasolvated monomer in THF/toluene, and exclusively monomer in neat THF. The dioxane-solvated NaHMDS only partially deaggregates to monomer even in neat dioxane. N-15-Si-29 coupling constants and Si-29 chemical shifts show a high and dependable correlation with the aggregation state. Monitoring either chemical shift or coupling constant versus THF concentration even in the high-temperature, rapid-exchange limit affords the solvation numbers consistent with DFT computations. The preparation of N-15-labeled NaHMDS has been improved.
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