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- W2135982021 abstract "A method of analysis of dynamic NMR spectra for A3B2 ⇌ C3D2 spin systems is proposed. This method is based upon the assumption that the shape of the A–C part of the spectrum is the same as for the AB2 ⇌ CD2 spin system and the shape of the B–D part is the same as for the A3B ⇌ C3D system. By means of this simplification the iterative total line shape analysis of dynamic NMR spectra by the use of the least-squares method becomes feasible. The method proposed is applied to the determination of the thermodynamic parameters of activation for internal rotation in N,N-diethylbenzamide in CD3CN (ΔG = 62.6 kJ mol−1 ΔH≠ = 62 kJ mol−1, ΔS≠ = −1 J/mol−1 K−1). The determination of natural line widths is discussed in detail and a method of estimation of the effect of systematic errors on the results is proposed." @default.
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- W2135982021 title "Remarks on the analysis of dynamic1H NMR spectra of A3B2 ⇌ C3D2 spin systems. Internal rotation inN,N-diethylbenzamide" @default.
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