Alkylhydrazides and their protonated forms: Physical methods andab initio calculations
Physical Chemistry
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Abstract
The basicity of hydrazides of the highest aliphatic carboxylic acids RC(O)NHNH2 (R = CnH2n+1,n = 5-12) has been studied by potentiometric titration, and IR and1H NMR spectroscopy.Ab initio Hartree-Fork calculations using the 6–31G* basis set with full optimization of geometry were carried out on the simplest acy1hydrazines and their possible protonated forms. Based on these calculations, and the 1R and1H NMR spectra, the tautomerism of alkylhydrazides and the structures of their protonated forms are discussed.
Key words
hydrazides of carbon acids protonated forms ab initio calculations IR and PMR spectraPreview
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