Kinetics and quantum chemical study for cyclotrimerization of propanal catalyzed by Bronsted acidic ionic liquids

被引：6
|
作者：
Li, Wu [1 ,2 ]
Zhen, Li [1 ]
Fang, Wang [1 ]
Min, Lei [1 ,2 ]
Jing, Chen [1 ]
机构：
[1] Chinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Oxo Synth & Select Oxidat, Lanzhou 730000, Peoples R China
[2] Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China
来源：
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL | 2013年 / 379卷
基金：
中国国家自然科学基金;
关键词：
Bronsted acidic ionic liquids; Cyclotrimerization; Kinetics study; Quantum chemistry calculations; EFFICIENT; SYSTEMS;
D O I：
10.1016/j.molcata.2013.07.021
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Several Bronsted acidic ionic liquids (BAILS) were synthesized and used as catalysts for the cyclotrimerization of propanal. The acidity of different BAILS was explored and a preliminarily study of the relationship between catalytic activity and acidity was performed. The kinetics for the BAILs-catalyzed cyclotrimerization of propanal was studied systemically to determine the kinetic model and the kinetic parameters by taking [BSTMG][HSO4] as the representative catalyst. The effects of various parameters such as catalyst loading, reaction temperature on the kinetics were examined in detail. Besides, the structures of three representative BAILs and the interactions between propanal molecule and ionic pairs of BAILs were studied by means of quantum chemistry calculations. (C) 2013 Elsevier B.V. All rights reserved.
引用
收藏
页码：86 / 93
页数：8
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