Pyrrolidinium-based ionic liquids. 1-Butyl-1-methyl pyrrolidinium dicyanoamide: thermochemical measurement, mass spectrometry, and ab initio calculations.
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.
Emel'yanenko
Vladimir N
VN
Department of Physical Chemistry, University of Rostock, Hermannstrasse 14, Rostock, Germany.
Verevkin
Sergey P
SP
Heintz
Andreas
A
Corfield
Jo-Anne
JA
Deyko
Alexey
A
Lovelock
Kevin R J
KR
Licence
Peter
P
Jones
Robert G
RG