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Pyrrolidinium-based Ionic Liquids. 1-Butyl-1-methyl Pyrrolidinium Dicyanoamide: Thermochemical Measurement, Mass Spectrometry, and Ab Initio Calculations

Vladimir N Emel'yanenko, Sergey P Verevkin, Andreas Heintz, Jo-Anne Corfield, Alexey Deyko, Kevin R J Lovelock, Peter Licence, Robert G Jones

J Phys Chem B. 2008 Sep 18;112(37):11734-42.

PMID: 18729398

Abstract:

The standard molar enthalpy of formation of the ionic liquid 1-butyl-1-methylpyrrolidinium dicyanamide has been determined at 298 K by means of combustion calorimetry, while the enthalpy of vaporization and the mass spectrum of the vapor (ion pairs) have been determined by temperature-programmed desorption and line of sight mass spectrometry. Ab initio calculations for 1-butyl-1-methylpyrrolidinium dicyanamide have been performed using the G3MP2 and CBS-QB3 theory, and the results from homodesmic reactions are in excellent agreement with the experiments.

Chemicals Related in the Paper:

Catalog Number Product Name Structure CAS Number Price
AP370865808 1-Butyl-1-methylpyrrolidinium dicyanamide 1-Butyl-1-methylpyrrolidinium dicyanamide 370865-80-8 Price
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