2020
DOI: 10.1016/j.molliq.2020.112805
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The study of bicyclic amidine-based ionic liquids as promising carbon dioxide capture agents

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Cited by 24 publications
(6 citation statements)
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“…Carbon dioxide absorption in DESs has been extensively studied in the past decade. , Previously, we have investigated the capacity of CO 2 absorption and associated mechanism for a series of anion-functionalized protic ILs, i.e., [DBUH]­[X] . We found that the basicity of comprising anion (X – ) of the IL dictates the maximum absorption capacity as well as kinetic and mechanism.…”
Section: Resultsmentioning
confidence: 99%
See 1 more Smart Citation
“…Carbon dioxide absorption in DESs has been extensively studied in the past decade. , Previously, we have investigated the capacity of CO 2 absorption and associated mechanism for a series of anion-functionalized protic ILs, i.e., [DBUH]­[X] . We found that the basicity of comprising anion (X – ) of the IL dictates the maximum absorption capacity as well as kinetic and mechanism.…”
Section: Resultsmentioning
confidence: 99%
“…These DESs usually exhibit fairly good performance on CO 2 absorption. Similar to the CO 2 absorptions in ILs, empirically, changing the anions of salt-based DESs heavily influences their CO 2 capture abilities. , However, because of a lack of available basicity data of comprising anions in these DESs, so far there have been few studies that investigated the effect of anion basicity of DES on CO 2 absorption ability as well as the mechanism associated. …”
Section: Introductionmentioning
confidence: 99%
“…87 The BCP and bond paths connecting two atoms show clear and unambiguous evidence for the existence of an interaction. 88,89 Therefore, the BCP is the most representative point in the interatomic interaction region to investigate the characteristics of the corresponding chemical bonds, 90 and CP (3, −1) is known as the BCP. 91,92…”
Section: Resultsmentioning
confidence: 99%
“…87 The BCP and bond paths connecting two atoms show clear and unambiguous evidence for the existence of an interaction. 88,89 Therefore, the BCP is the most representative point in the interatomic interaction region to investigate the characteristics of the corresponding chemical bonds, 90 and CP (3, À1) is known as the BCP. 91,92 Based on the topological analysis, the BCP quantum mechanical parameters, such as charge density r (BCP) , Laplacian of the charge density r 2 r (BCP) , local potential energy density V (BCP) , local gradient kinetic energy density G (BCP) , and total energy density H (BCP) were subsequently calculated.…”
Section: Quantum Theory Of Atoms In Moleculesmentioning
confidence: 99%
“…Wu et al [ 76 ] studied the reactivity of azolate anions with CO 2 from the density functional theory (DFT) perspective. It was studied that the absorption capacity by imidazolate [ 66 , 69 ], pyrazolate ILs [ 77 , 78 ], and indazolate ILs [ 79 ] was affected by the substituents on the heterocycles. For example, Wang et al [ 60 ] showed that the molar ratio of CO 2 to [P 66614 ][4-CHO-Im] could reach 1.24 at 20 °C and 1 bar via the interactions of imidazolate-CO 2 and hydrogen bonding.…”
Section: Functionalized Ils For Co 2 Capturementioning
confidence: 99%