scholarly journals A DFT study on lignin dissolution in imidazolium-based ionic liquids

RSC Advances ◽  
2017 ◽  
Vol 7 (21) ◽  
pp. 12670-12681 ◽  
Author(s):  
Yaqin Zhang ◽  
Hongyan He ◽  
Kun Dong ◽  
Maohong Fan ◽  
Suojiang Zhang
Keyword(s):  
Ionic Liquids ◽  
Dft Study ◽  
Π Stacking

Co-interaction lead to dissolution of lignin in ILs: H-bonds and π–π stacking.

DFT Study on the Chemical Absorption Mechanism of CO2 in Diamino Protic Ionic Liquids

2021 ◽  
Vol 125 (5) ◽  
pp. 1416-1428
Author(s):  
Jing Ma ◽  
Yutong Wang ◽  
Xueqing Yang ◽  
Mingxuan Zhu ◽  
Baohe Wang
Keyword(s):  
Ionic Liquids ◽  
Dft Study ◽  
Protic Ionic Liquids ◽  
Absorption Mechanism ◽  
Chemical Absorption

Effect of the Side-Chain Length and NLO Properties of the N-ethyl-N,N,N-trialkylammonium Ionic Liquids – A DFT Study

2021 ◽  
pp. 116251
Author(s):  
M.A. Olea-Amezcua ◽  
J.E. Castellanos-Águila ◽  
H. HernÁndez-Cocoletzi ◽  
E. Ferreira ◽  
M. Trejo-Durán ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Chain Length ◽  
Dft Study ◽  
Side Chain ◽  
Side Chain Length ◽  
Nlo Properties

scholarly journals Theoretical studies on glycolysis of poly(ethylene terephthalate) in ionic liquids

RSC Advances ◽  
2018 ◽  
Vol 8 (15) ◽  
pp. 8209-8219 ◽  
Author(s):  
Zhaoyang Ju ◽  
Weihua Xiao ◽  
Xingmei Lu ◽  
Xiaomin Liu ◽  
Xiaoqian Yao ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Ethylene Terephthalate ◽  
Theoretical Studies ◽  
Π Stacking ◽  
Poly Ethylene Terephthalate ◽  
Poly Ethylene

Co-interaction lead to glycolysis of ethylene terephthalate (PET) in ionic liquids (ILs): H-bonds and π-stacking.

Vibrational spectroscopy of imidazolium-based ionic liquids: A combined MD/DFT study

2019 ◽  
Vol 292 ◽  
pp. 111282 ◽  
Author(s):  
Jiannan Liu ◽  
Hyunjin Kim ◽  
Nilesh R. Dhumal ◽  
Hyung J. Kim
Keyword(s):  
Ionic Liquids ◽  
Vibrational Spectroscopy ◽  
Dft Study

scholarly journals The electronic structure of ionic liquids based on the TFSI anion: A gas phase UPS and DFT study

2019 ◽  
Vol 294 ◽  
pp. 111580 ◽  
Author(s):  
Ivar Kuusik ◽  
Mati Kook ◽  
Rainer Pärna ◽  
Antti Kivimäki ◽  
Tanel Käämbre ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Ionic Liquids ◽  
Gas Phase ◽  
Dft Study

scholarly journals π+–π+ stacking of imidazolium cations enhances molecular layering of room temperature ionic liquids at their interfaces

2017 ◽  
Vol 19 (4) ◽  
pp. 2850-2856 ◽  
Author(s):  
Fujie Tang ◽  
Tatsuhiko Ohto ◽  
Taisuke Hasegawa ◽  
Mischa Bonn ◽  
Yuki Nagata
Keyword(s):  
Ionic Liquids ◽  
Room Temperature ◽  
Interfacial Structure ◽  
Molecular Polarizability ◽  
Room Temperature Ionic Liquids ◽  
Molecular Layering ◽  
Ordered Structure ◽  
Imidazolium Cations ◽  
Π Stacking

The interfacial structure of room temperature ionic liquids (RTILs) is governed by the competing effects of the randomization due to the molecular polarizability and the ordered structure stabilized by π+–π+ interactions between the cationic molecules of RTILs.

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