Quantum chemical aided prediction of the thermal decomposition mechanisms and temperatures of ionic liquids

2007 ◽  
Vol 465 (1-2) ◽  
pp. 40-47 ◽  
Author(s):  
Maaike C. Kroon ◽  
Wim Buijs ◽  
Cor J. Peters ◽  
Geert-Jan Witkamp
Keyword(s):  
Thermal Decomposition ◽  
Ionic Liquids ◽  
Quantum Chemical ◽  
Decomposition Mechanisms

scholarly journals Thermal Decomposition Mechanisms of Alkylimidazolium Ionic Liquids with Cyano-Functionalized Anions

2014 ◽  
Vol 118 (47) ◽  
pp. 11119-11132 ◽  
Author(s):  
Steven D. Chambreau ◽  
Adam C. Schenk ◽  
Anna J. Sheppard ◽  
Gregory R. Yandek ◽  
Ghanshyam L. Vaghjiani ◽  
...  
Keyword(s):  
Thermal Decomposition ◽  
Ionic Liquids ◽  
Decomposition Mechanisms

Thermal decomposition mechanisms of some amino acid ionic liquids: Molecular approach

2020 ◽  
Vol 302 ◽  
pp. 112505 ◽  
Author(s):  
Mojtaba Rezaeian ◽  
Mohammad Izadyar ◽  
Mohammad Reza Housaindokht
Keyword(s):  
Thermal Decomposition ◽  
Ionic Liquids ◽  
Amino Acid ◽  
Molecular Approach ◽  
Decomposition Mechanisms

Effect of ionic liquids on the thermal decomposition process of tert-butyl peroxybenzoate (TBPB) by DSC

2019 ◽  
Vol 671 ◽  
pp. 127-133 ◽  
Author(s):  
Jun-Cheng Jiang ◽  
Li Li ◽  
Jia-Jia Jiang ◽  
Yan Wang ◽  
Siu-Ming Lo ◽  
...  
Keyword(s):  
Thermal Decomposition ◽  
Ionic Liquids ◽  
Decomposition Process ◽  
Thermal Decomposition Process ◽  
Tert Butyl

Synthesis and Characterization of Super-Molecular Ionic Liquids

2011 ◽  
Vol 197-198 ◽  
pp. 906-910
Author(s):  
Hui Ru Liu ◽  
Li Qiang Lv ◽  
Xing Chen Zhang
Keyword(s):  
Ionic Liquid ◽  
Ionic Liquids ◽  
Melting Point ◽  
Quantum Chemical ◽  
Organic Molecules ◽  
Raw Materials ◽  
Ammonium Thiocyanate ◽  
Molar Ratio ◽  
Molecular Ion

This study concerned a novel super-molecular ionic liquid synthesized by ammonium thiocyanate and caprolactam. The physical characters such as melting point and electric conductivity were investigated. Results showed that the melting point is -12.2°C at the molar ratio of 3:1 (caprolactam/ammonium thiocyanate), which is much lower than raw materials. The electric conductivities of synthesized ionic liquids were close to that of imidazole ILs. The structure of ionic liquid was characterized by IR,1HNMR and quantum chemical calculations. It was shown that the NH4+cation connected with caprolactam organic molecules by hydrogen bonds, leading to the forming of a super-molecular ion. The electrostatic attraction of super-molecular ion with anion was decreased because of the larger volume of super-molecular ion than original cation, thus the melting point decreased. The key properties that distinguish super-molecular ionic liquid from other ILs were the presence of supermolecular ion, which can be used to build up a hydrogen-bonded network. This type ion liquid was named as super-molecular ion liquid.

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