1-Ethyl-3-methylimidazolium Based Ionic Liquids Containing Cyano Groups:  Synthesis, Characterization, and Crystal Structure

2004 ◽  
Vol 43 (4) ◽  
pp. 1458-1462 ◽  
Author(s):  
Yukihiro Yoshida ◽  
Koji Muroi ◽  
Akihiro Otsuka ◽  
Gunzi Saito ◽  
Masahide Takahashi ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Ionic Liquids ◽  
Cyano Groups

scholarly journals Predicting Melting Points of Biofriendly Choline-Based Ionic Liquids with Molecular Dynamics

2019 ◽  
Vol 9 (24) ◽  
pp. 5367 ◽  
Author(s):  
Karl Karu ◽  
Fred Elhi ◽  
Kaija Põhako-Esko ◽  
Vladislav Ivaništšev
Keyword(s):  
Crystal Structure ◽  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Melting Point ◽  
Chemical Space ◽  
Mean Square ◽  
Melting Points ◽  
Simulation Based ◽  
Predicted Values ◽  
Dynamics Simulations

In this work, we introduce a simulation-based method for predicting the melting point of ionic liquids without prior knowledge of their crystal structure. We run molecular dynamics simulations of biofriendly, choline cation-based ionic liquids and apply the method to predict their melting point. The root-mean-square error of the predicted values is below 24 K. We advocate that such precision is sufficient for designing ionic liquids with relatively low melting points. The workflow for simulations is available for everyone and can be adopted for any species from the wide chemical space of ionic liquids.

Synthesis, crystal structure and optical property of manganese (II) halides based on pyridine ionic liquids with high quantum yield

2020 ◽  
Vol 45 (6) ◽  
pp. 413-421
Author(s):  
Lingyan Li ◽  
Lei Li ◽  
Qianqian Li ◽  
Yiming Shen ◽  
Shangke Pan ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Ionic Liquids ◽  
Optical Property ◽  
Quantum Yield ◽  
High Quantum Yield ◽  
High Quantum

Synthesis and Structure of 1-Ethyl-2,4,5-triphenyl-1H-imidazole (Ethyl-Lophine)

2013 ◽  
Vol 68 (3) ◽  
pp. 245-249 ◽  
Author(s):  
Tim Peppel ◽  
Martin Köckerling
Keyword(s):  
Crystal Structure ◽  
Ionic Liquids ◽  
Structure Analysis ◽  
Title Compound ◽  
Organic Cations ◽  
X Ray ◽  
Microwave Assisted ◽  
Elemental Analyses ◽  
Thermal Measurements ◽  
Microwave Assisted Method

Ethyl-Lophine, 1-ethyl-2,4,5-triphenyl-1H-imidazole, C23H20N2, was synthesized as a precursor for large organic cations in ionic liquids using an improved microwave-assisted method. The title compound and a precursor compound were characterized by NMR, IR, and DSC thermal measurements, as well as elemental analyses. The crystal structure of ethyl-lophine was determined by singlecrystal X-ray structure analysis (triclinic, P1̄, a = 10:1137(3), b = 12:4935(4), c = 14:6351(4) Å , α = 98:182(2)°, β = 90:694(2)°, γ = 102:666(2)°, Z = 4, wR2 = 0:1030 for 611 refined parameters).

Rare-Earth Iodides in Ionic Liquids:  The Crystal Structure of [SEt3]3[LnI6] (Ln = Nd, Sm)

2005 ◽  
Vol 44 (23) ◽  
pp. 8168-8169 ◽  
Author(s):  
Arash Babai ◽  
Anja-Verena Mudring
Keyword(s):  
Crystal Structure ◽  
Ionic Liquids ◽  
Rare Earth

Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids

CrystEngComm ◽  
2014 ◽  
Vol 16 (14) ◽  
pp. 3040-3046 ◽  
Author(s):  
Xiao-Peng Xuan ◽  
Liang-Liang Chang ◽  
Heng Zhang ◽  
Na Wang ◽  
Yang Zhao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Ionic Liquids ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Carboxyl Group ◽  
Imidazolium Ionic Liquids

Hydrogen bonds such as the classic O–H⋯X (halide ion) hydrogen bond and the carboxyl group dimer were observed in the crystal structures of hydrophilic and hydrophobic COOH-functionalized imidazolium ionic liquids, respectively.

Synthesis and Characterization of Supported on Silica Based Ionic Liquids

2015 ◽  
Vol 727-728 ◽  
pp. 34-37
Author(s):  
Li Ying Guo ◽  
Jun Shi ◽  
Jun Hai He ◽  
Ji Yue Huang ◽  
Peng Cheng Huang
Keyword(s):  
Crystal Structure ◽  
Ionic Liquid ◽  
Ionic Liquids ◽  
Chemical Structure ◽  
Sol Gel ◽  
Synthesis And Characterization ◽  
Imidazolium Ionic Liquid ◽  
Imidazolium Ionic Liquids ◽  
Methyl Imidazole

Three kinds of functionalized imidazolium ionic liquid, 1-chloride (2-hydroxyethyl) -3-methyl imidazole ionic liquid [HeMIM]Cl, 1-bromide ethylamine-3-methyl imidazolium ionic liquid [AeMIM]Br and chlorinated 1-carboxyethyl-3-methyl imidazolium ionic liquid [CeMIM]Cl, were synthesized firstly. Subsequently, three kinds of supported silicon imidazolium ionic liquids were prepared from above ionic liquids with tetraethoxysilane by sol-gel method. The Chemical structure and crystal structure of the supported on silica based ionic liquids were analyzed by FTIR and XRD.

scholarly journals Crystal structure of poly[bis(μ-2-amino-4,5-dicyanoimidazolato-κ2N1:N3)-trans-bis(N,N′-dimethylformamide-κO)cadmium]

2015 ◽  
Vol 71 (9) ◽  
pp. 1022-1025 ◽  
Author(s):  
Jin-Li Zhu ◽  
Guo -Qing Jiang ◽  
Xiao-Qing Guo ◽  
Yan-Feng Tang ◽  
Miao Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Polymer ◽  
Equatorial Plane ◽  
Rotation Axis ◽  
Amino Group ◽  
Hydrogen Bonding Interactions ◽  
Primary Amino ◽  
Cyano Groups

In the title structure, [Cd(C5H2N5)2(C3H7NO)2]nor [Cd(adci)2(DMF)2]n, the Cd2+ion is located on a twofold rotation axis and is six-coordinated in a CdN4O2manner by four imidazole N atoms of four symmetry-related 2-amino-4,5-dicyanoimidazolate (adci) anions in the equatorial plane and by two O atoms of symmetry-relatedN,N-dimethylformamide (DMF) ligands in axial positions. The adci−anions bridge adjacent Cd2+ions [shortest Cd...Cd separation = 6.733 (3) Å] into a layered coordination polymer extending parallel to (001). The primary amino group and the non-coordinating cyano groups of adci−anions are involved in hydrogen-bonding interactions with DMF ligands to stabilize the crystal structure.

Sign in / Sign up

Export Citation Format

Share Document