1-(吡啶鎓基)-5-(1-甲基哌啶鎓)戊烷双三氟磺酰亚胺盐的合成与热力学性质研究

Study on synthesis and thermodynamic properties of1-( 1-pyridinium-1-yl) pentane-( 1-methylpiperidinium)bi[bis( trifluoromethanesulfonyl) imide]

运用分子设计理论合成了一种非对称双阳离子型离子液体1-(吡啶鎓基)-5-(1-甲基哌啶鎓)戊烷双三氟磺酰亚胺盐([PyC5Pi][NTf2]2),采用IR和1H NMR对其结构进行表征,使用非等温热重分析法、等转化率法和多元非线性回归法,研究了该离子液体的热稳定性、热分解动力学参数和热分解机理模型函数.结果表明,[PyC5Pi][NTf2]2的热稳定性较好;等转化率法得到[PyC5Pi][NTf2]2的平均活化能为160.10 kJ/mol,平均对数指前因子为9.17;多元非线性回归法得到该离子液体为n级自催化反应(CnB),n=1.592 6,Kcat=5.602 7,对应的热分解机理模型函数为f(α)=(1-α)1.592 6(1+5.602 7α),相应的活化能E=169.71 kJ·mol-1,对数指前因子lg A=9.59,与等转化率法得到的结果吻合.

Asymmetrical dicationic ionic liquid 1-（ 1-pyridinium-1-yl） pentane-（ 1-methylpiperidinium） bi[bis（ trifluoromethanesulfonyl） imide]（ [PyC5Pi][NTf2]2） was prepared through molecular design theory,and its structure was characterized with IR and1 H NMR. The thermal stability,thermal decomposition kinetic parameters and thermal decomposition mechanism model function of the ionic liquid were studied by using non-isothermal thermogravimetric analysis method,equal-transition ratio method and multivariate non-linear-regression method. The results showed that the thermal stability of the[PyC5Pi][NTf2]2was better. According to equal-transition ratio method,the average activation energy and average pre-exponen-tial factor of[PyC5Pi][NTf2]2were 160. 10 kJ /mol and 9. 17 respectively. Multivariate non-linear-regression method indicated that the ionic liquid was n-tier autocatalytic reaction（ CnB）,n = 1. 592 6,Kcat=5. 602 7,corresponding to the thermal decomposition mechanism model function f（ α） =（ 1- α）1. 592 6（ 1 ＋5. 602 7α）,E = 169. 71 kJ·mol- 1,lg A = 9.59,respectively. The results were consistent with that of equal-transition ratio method.