Mobility of the acidic protons in H-ZSM-5 as studied by variable temperature H MAS NMR

Article Abstract:

A study examined the dynamic character of the acidic protons in H-ZSM-5 through the temperature dependence of H MAS NMR ranging from 298 to 473 K. This investigation determined the correlation time, the second moments and the activation energy of the thermal motion of the protons. Findings revealed that the line width of H MAS NMR of acidic proteins increased although it decreased through maximum. Moreover, the intensity of the spinning sidebands was monotonically reduced and almost vanished when the temperature was increased. The thermal motion of protons was credited for this temperature dependence.

Research, Zeolites, Protons, Acids, Temperature

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Solvation structure and transport of acidic protons in ionic liquids: A first-principles simulation study

Article Abstract:

The proton-transfer process is investigated by applying a force along the antisymmetric stretch coordinate until the molecule broke. Results reveal that as the original ClHCl(super -) distorts and the incoming chloride forms a new bond to the proton, one of the original chlorine atoms is expelled and a new linear molecule is formed.

Hydrogen chloride, Chlorides, Dichloropropane

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Double-layer in ionic liquids: Paradigm change?

Article Abstract:

The atomic details and fine packing structure of ions in liquids are taken into consideration to develop a new theory for the double layer in ionic liquids. The density functional theory is applied for this as it incorporates the charge-density oscillations.

Usage, Density functionals, Density functional theory, Transport theory, Poisson's equation, Chemical properties, Report

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