首页|Role of solvent dielectric constant on the enthalpy-entropy compensation in the hindered amide bond rotation
Role of solvent dielectric constant on the enthalpy-entropy compensation in the hindered amide bond rotation
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NSTL
Elsevier
The purpose of this investigation is to determine if enthalpy-entropy compensation (EEC) is a valid concept when the experiments are performed on a set of molecules in multiple solvents. Dynamic nuclear magnetic resonance (DNMR) experiments are performed on a series of analogs derived from N, N-diethyl-m-toluamide (DEET) in six different solvents of varying dielectric constant from toluene-d8 (epsilon = 2.38) to dimethyl sulfoxide-d6 (epsilon = 46.7). The thermodynamic parameters of the restricted rotation to the solvent dielectric constant do not have a straightforward correlation relationship between them. However, the activation enthalpy and entropy of more than sixty different experimental measurements indicate that enthalpy-entropy compensation (EEC) is independent of the solvent condition with a compensation temperature of 287.81 +/- 3.95 K. The results, therefore, support the broader role of EEC on the partial amide bond dynamics in the DEET analogs over the temperature range studied.
Nuclear Magnetic Resonance (NMR)Dielectric constantSolventsPartial double bondEnthalpy-entropy compensationMAGNETIC-RESONANCECHEMICAL-EXCHANGEBARRIERSMECHANISM
Guerra, Jacob G.、Kumar, Prarthana、Bajwa, Bhvandip、Krishnan, V. V.、Maitra, Santanu、Morrelli, Derek
NSTL
Elsevier
