Crystal structure and thermal decomposition kinetics of1-(pyridinium-1-yl)propane-(1-methylpiperidinium)bi[bis(trifluoromethanesulfonyl)imide], [PyC_3Pi][NTf_2]_2  

作　　者：Jun Wang Manman Wang Xuzhao Yang Wenyuan Zou Xiang Chen 

机构地区：[1]Henan Provincial Key Laboratory of Surface & Interface Science, Zhengzhou University of Light Industry

出　　处：《Chinese Journal of Chemical Engineering》2015年第5期816-821,共6页中国化学工程学报（英文版）

基　　金：the National Natural Science Foundation of China(21176228);the National Key Technology Support Program of China(2013BAC01B04);the Science and Technology Research Projects of Zhengzhou City(141PQYJS555)

摘　　要：The structure of a room temperature asymmetrical dicationic ionic liquid （ADIL）, 1-（pyridinium-l-yl） propane- （1-methylpiperidinium） bi[bis（tfifluoromethanesulfonyl）imide] （[PyC3Pi][NTf2]2）, was studied by the X-ray difo fraction method. Meanwhile, thermal analysis of [PyC3Pi][NTf2]2 was also studied using non-isothermal thermo- gravimetric analysis （TGA）. The title crystal belongs to the triclinic with space group Pi and unit-cell parameters a ： 0.95217 （8） nm, b = 1.05129 （11 ） nm, c = 1.70523 （14） nm, ct = 89,759 （8）°,β = 80.657 （7）°, γ=68.007 （9）°, and F（000） = 792. Thermal stability and thermal decomposition kinetics of the title compound were also investigated using TGA under the atmosphere of highly pure nitrogen. Heating curves at different rates were cor- related with kinetic equations Friedman and ASTM （also called iso-conversion method）. The values of average activation E （kJ·mol^-1 ） and pre-exponential constant lgA are 149.58 kJ. mol- 1 and 8.83, respectively, which were obtained by the two methods. The kinetic model function, activation energy and pre-exponential constant of this reaction using the multivariate non-linear-regression method were f（a） = （1 -a）（1 ＋ 4.1870a）, 151.04 kJ·mol^-1 and 8.81, respectively, which were basically consistent with iso-conversion methods.The structure of a room temperature asymmetrical dicationic ionic liquid(ADIL), 1-(pyridinium-1-yl) propane-(1-methylpiperidinium) bi[bis(trifluoromethanesulfonyl)imide]([PyC 3Pi][NTf2]2), was studied by the X-ray diffraction method. Meanwhile, thermal analysis of [Py C3Pi][NTf2]2was also studied using non-isothermal thermogravimetric analysis(TGA). The title crystal belongs to the triclinic with space group Pī and unit-cell parameters a = 0.95217(8) nm, b = 1.05129(11) nm, c = 1.70523(14) nm, α = 89.759(8)°, β = 80.657(7)°, γ = 68.007(9)°, and F(000) = 792. Thermal stability and thermal decomposition kinetics of the title compound were also investigated using TGA under the atmosphere of highly pure nitrogen. Heating curves at different rates were correlated with kinetic equations Friedman and ASTM(also called iso-conversion method). The values of average activation E(k J·mol-1) and pre-exponential constant lg A are 149.58 k J·mol-1and 8.83, respectively, which were obtained by the two methods. The kinetic model function, activation energy and pre-exponential constant of this reaction using the multivariate non-linear-regression method were f(α) =(1- α)(1 + 4.1870α), 151.04 k J·mol-1and 8.81, respectively, which were basically consistent with iso-conversion methods.

关 键 词：Asymmetrical dicationic ionic liquid Crystal structure Decomposition kinetics 

分 类 号：O626[理学—有机化学]