Boosting Performance by Water Solvation Shell with Hydrogen Bonds on Protonic Ionic Liquid: Insights into the Acid Catalysis of Glycosidic Bond

2021 ◽  
Author(s):  
Kaixin Li ◽  
Limin Deng ◽  
Shun Yi ◽  
Yabo Wu ◽  
Guangjie Xia ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Hydrogen Bonding ◽  
Ionic Liquids ◽  
Hydrogen Bonds ◽  
Acid Catalysis ◽  
Biological Systems ◽  
Solvation Shell ◽  
Water Molecules ◽  
Binding Behavior ◽  
Chemical And Biological Systems

Hydrogen-bonding (HB) induced by water solvation shell is vital in the chemical and biological systems. Herein, HBs related to the binding behavior of protonic ionic liquids (PIL) with water molecules...

scholarly journals Structure of copper(II) complexes grown from ionic liquids – 1-ethyl-3-methylimidazolium acetate or chloride

2018 ◽  
Vol 74 (7) ◽  
pp. 981-986 ◽  
Author(s):  
Nikita Yu. Serov ◽  
Valery G. Shtyrlin ◽  
Daut R. Islamov ◽  
Olga N. Kataeva ◽  
Dmitry B. Krivolapov
Keyword(s):  
Ionic Liquid ◽  
Ionic Liquids ◽  
Hydrogen Bonds ◽  
Water Systems ◽  
Water Molecules ◽  
One Dimensional ◽  
X Ray ◽  
Paddle Wheel ◽  
Chloride Water

Crystals of four new copper(II) complexes have been grown from copper(II) acetate/chloride–1-ethyl-3-methylimidazolium acetate/chloride–water systems and characterized by X-ray analysis. The first complex, bis(1-ethyl-3-methylimidazolium) tetra-μ-acetato-bis[chloridocuprate(II)], [Emim]2[Cu2(C2H3O2)4Cl2] (1) (Emim is 1-ethyl-3-methylimidazolium, C6H11N2), contains [Cu2(C2H3O2)4Cl2]2− coordination anions with a paddle-wheel structure and ionic liquid cations. Two of the synthesized complexes are one-dimensional polymers, namely catena-poly[1-ethyl-3-methylimidazolium [[tetra-μ-acetato-dicuprate(II)]-μ-chlorido] monohydrate], {[Emim][Cu2(C2H3O2)4Cl]·H2O} n (2), and catena-poly[1-ethyl-3-methylimidazolium [[tetra-μ-acetato-dicuprate(II)]-μ-acetato]], {[Emim][Cu2(C2H3O2)5]} n (3). In these compounds, the Cu2(C2H3O2)4 units with a paddle-wheel structure are connected to each other through chloride (in 2) or acetate (in 3) anions to form parallel chains, between which cations of ionic liquid are situated. The last compound, bis(1-ethyl-3-methylimidazolium) tetra-μ-acetato-bis[aquacopper(II)] tetra-μ-acetato-bis[acetatocuprate(II)] dihydrate, [Emim]2[Cu2(C2H3O2)4(H2O)2][Cu2(C2H3O2)6]·2H2O (4), contains two different binuclear coordination units (neutral and anionic), connected through hydrogen bonds between water molecules and acetate ions.

scholarly journals Modification of Chitin Particles with Ionic Liquids Containing Ethyl Substituent in a Cation

2017 ◽  
Vol 2017 ◽  
pp. 1-9 ◽  
Author(s):  
Malgorzata M. Jaworska ◽  
Andrzej Górak ◽  
Joanna Zdunek
Keyword(s):  
Particle Size ◽  
Ionic Liquid ◽  
Ionic Liquids ◽  
Hydrogen Bonds ◽  
Particle Size Distribution ◽  
Size Distribution ◽  
High Viscosity ◽  
Physical Structure ◽  
Ethyl Group ◽  
Network Of Hydrogen Bonds

Chitin cannot be dissolved in conventional solvents due to the strong inter- and intrasheet network of hydrogen bonds and the large number of crystalline regions. Some ionic liquids (ILs) have been suggested in the literature as possible solvents for chitin. Seven of them, all having an ethyl group as substituent in the cationic ring, have been tested in this work: [Emim][Cl], [Emim][Br], [Emim][I], [Emim][OAc], [Emim][Lact], [Epyr][I], and [EMS][BFSI]. Chitin was insoluble in [EMS][BFSI] while for all other ILs solubility was limited due to high viscosity of solutions and equilibria have not been reached. Changes in physical structure, particle size distribution, and crystallinity of recovered chitin depended on ionic liquid used. Increase in porosity was observed for chitin treated with [Emim][Cl], [Emim][I], [Emim][Br], and [Emim][Lact]; changes in particle size distribution were observed for [Emim][AcOH] and [EMS][BFSI]; increase in crystallinity was noticed for chitin treated with [Epyr][I] while decrease in crystallinity for [Emim][I] was noticed. All tested ionic liquids were reused four times and changes in FTIR spectra could be observed for each IL.

Computational analysis of the effect of [Tea][Ms] and [Tea][H2PO4] ionic liquids on the structure and stability of Aβ(17–42) amyloid fibrils

2021 ◽  
Vol 23 (11) ◽  
pp. 6695-6709
Author(s):  
D. Gobbo ◽  
A. Cavalli ◽  
P. Ballone ◽  
A. Benedetto
Keyword(s):  
Ionic Liquid ◽  
Hydrogen Bonding ◽  
Ionic Liquids ◽  
Liquid Water ◽  
Computational Analysis ◽  
Amyloid Fibrils ◽  
Aβ Peptides ◽  
Structure And Stability ◽  
Water Solutions ◽  
Kinetics Of

Tight coordination of peptides by organic anions driven by hydrogen bonding affects the fibrillation kinetics of Aβ peptides in ionic liquid/water solutions.

scholarly journals Two New Polyiodides in the 4,4´-Bipyridinium Diiodide/Iodine System

2012 ◽  
Vol 67 (1) ◽  
pp. 5-10
Author(s):  
Guido J. Reiss ◽  
Martin van Megen
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Complex I ◽  
The Other ◽  
Cyclic Dimer ◽  
Water Molecules ◽  
Spectroscopic Methods ◽  
Halogen Bonds ◽  
One Dimensional ◽  
Hydroiodic Acid

The reaction of bipyridine with hydroiodic acid in the presence of iodine gave two new polyiodide-containing salts best described as 4,4´-bipyridinium bis(triiodide), C10H10N2[I3]2, 1, and bis(4,4´-bipyridinium) diiodide bis(triiodide) tris(diiodine) solvate dihydrate, (C10H10N2)2I2[I3]2 · 3 I2 ·2H2O, 2. Both compounds have been structurally characterized by crystallographic and spectroscopic methods (Raman and IR). Compound 1 is composed of I3 − anions forming one-dimensional polymers connected by interionic halogen bonds. These chains run along [101] with one crystallographically independent triiodide anion aligned and the other triiodide anion perpendicular to the chain direction. There are no classical hydrogen bonds present in 1. The structure of 2 consists of a complex I144− anion, 4,4´-bipyridinium dications and hydrogen-bonded water molecules in the ratio of 1 : 2 : 2. The I144− polyiodide anion is best described as an adduct of two iodide and two triiodide anions and three diiodine molecules. Two 4,4´-bipyridinium cations and two water molecules form a cyclic dimer through N-H· · ·O hydrogen bonds. Only weak hydrogen bonding is found between these cyclic dimers and the polyiodide anions.

scholarly journals Bis(3-carbamoylpyridin-1-ium) phosphite monohydrate

2018 ◽  
Vol 74 (9) ◽  
pp. 1295-1298
Author(s):  
Jan Fábry
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Secondary Amine ◽  
Symmetry Plane ◽  
Structural Features ◽  
Water Molecules ◽  
Amine Groups

Two of the constituent molecules in the title structure, 2C6H7N2O+·HPO3 2−·H2O, i.e. the phosphite anion and the water molecule, are situated on a symmetry plane. The molecules are held together by moderate N—H...O and O—H...N, and weak O—H...O and C—H...Ocarbonyl hydrogen bonds in which the amide and secondary amine groups, and the water molecules are involved. The structural features are usual, among them the H atom bonded to the P atom avoids hydrogen bonding.

scholarly journals Crystal structure and hydrogen bonding in the water-stabilized proton-transfer salt brucinium 4-aminophenylarsonate tetrahydrate

2016 ◽  
Vol 72 (5) ◽  
pp. 751-755 ◽  
Author(s):  
Graham Smith ◽  
Urs D. Wermuth
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Network Structure ◽  
Three Dimensional ◽  
Water Molecules ◽  
Arsanilic Acid ◽  
Dimensional Network

In the structure of the brucinium salt of 4-aminophenylarsonic acid (p-arsanilic acid), systematically 2,3-dimethoxy-10-oxostrychnidinium 4-aminophenylarsonate tetrahydrate, (C23H27N2O4)[As(C6H7N)O2(OH)]·4H2O, the brucinium cations form the characteristic undulating and overlapping head-to-tail layered brucine substructures packed along [010]. The arsanilate anions and the water molecules of solvation are accommodated between the layers and are linked to them through a primary cation N—H...O(anion) hydrogen bond, as well as through water O—H...O hydrogen bonds to brucinium and arsanilate ions as well as bridging water O-atom acceptors, giving an overall three-dimensional network structure.

scholarly journals Synthesis of the symmetrical methylene diesters from carboxylic ionic liquids

2017 ◽  
Vol 95 (7) ◽  
pp. 744-750 ◽  
Author(s):  
D. Gómora-Herrera ◽  
I.V. Lijanova ◽  
O. Olivares-Xometl ◽  
A. Toscano ◽  
N.V. Likhanova
Keyword(s):  
Ionic Liquid ◽  
Hydrogen Bonding ◽  
Ionic Liquids ◽  
Hydrogen Atom ◽  
Crystal Packing ◽  
Spectroscopic Techniques ◽  
Amine Group ◽  
Carboxylic Group ◽  
Microwave Reactor ◽  
Trimer Formation

The reaction between carboxylic ionic liquids and dichloromethane, which provokes the formation of symmetrical methylene diesters, was carried out. The synthesis of these ionic liquid compounds was carried out in a microwave reactor, and the characterization by spectroscopic techniques of methylene diesters (methylene di-2-furoate, methylene di-2-picolinate, methylene dianthranilate, and methylene dioleate) is described and the crystal structures discussed. The crystal packing of methylene dianthranilate is characterized by trimer formation due to hydrogen bonding via interactions between the hydrogen atom of the primary amine group and the oxygen of the carboxylic group.

A 16-connected three-dimensional hydrogen-bonding network in tetrakis(4-aminopyridinium) perylene-3,4,9,10-tetracarboxylate octahydrate

2014 ◽  
Vol 70 (7) ◽  
pp. 668-671 ◽  
Author(s):  
Zhi-Hui Zhang ◽  
Jin-Long Wang ◽  
Ning Gao ◽  
Ming-Yang He
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Linear Chain ◽  
Three Dimensional ◽  
Organic Salt ◽  
Water Molecules ◽  
The Novel ◽  
One Dimensional ◽  
Connected Node ◽  
Hydrogen Bonding Network

The novel title organic salt, 4C5H7N2+·C24H8O84−·8H2O, was obtained from the reaction of perylene-3,4,9,10-tetracarboxylic acid (H4ptca) with 4-aminopyridine (4-ap). The asymmetric unit contains half a perylene-3,4,9,10-tetracarboxylate (ptca4−) anion with twofold symmetry, two 4-aminopyridinium (4-Hap+) cations and four water molecules. Strong N—H...O hydrogen bonds connect each ptca4−anion with four 4-Hap+cations to form a one-dimensional linear chain along the [010] direction, decorated by additional 4-Hap+cations attached by weak N—H...O hydrogen bonds to the ptca4−anions. Intermolecular O—H...O interactions of water molecules with ptca4−and 4-Hap+ions complete the three-dimensional hydrogen-bonding network. From the viewpoint of topology, each ptca4−anion acts as a 16-connected node by hydrogen bonding to six 4-Hap+cations and ten water molecules to yield a highly connected hydrogen-bonding framework. π–π interactions between 4-Hap+cations, and between 4-Hap+cations and ptca4−anions, further stabilize the three-dimensional hydrogen-bonding network.

scholarly journals Notizen: Hydrogen Bonding in MoO2Cl2 · H2O Determined by Electrostatic Energy Calculations

1977 ◽  
Vol 32 (11) ◽  
pp. 1358-1359 ◽  
Author(s):  
Werner H. Baur
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Systematic Variation ◽  
Electrostatic Energy ◽  
Water Molecules ◽  
Hydrogen Atoms ◽  
Energy Calculations ◽  
Internal Geometry

The configuration of least electrostatic energy for the hydrogen atoms in both polytypes of MoO2Cl2 · H2O was obtained by systematic variation of the orientations of the water molecules. The internal geometry of the H2O group was kept constant throughout the variation. The hydrogen bonds are of the bifurcated type: [xxx]

scholarly journals The infrared spectra of protic ionic liquids: performances of different computational models to predict hydrogen bonds and conformer evolution

2020 ◽  
Vol 22 (14) ◽  
pp. 7497-7506 ◽  
Author(s):  
O. Palumbo ◽  
A. Cimini ◽  
F. Trequattrini ◽  
J.-B. Brubach ◽  
P. Roy ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Ionic Liquids ◽  
Hydrogen Bonds ◽  
Dft Calculations ◽  
Infrared Spectra ◽  
Computational Models ◽  
Far Infrared ◽  
Protic Ionic Liquids ◽  
Far Infrared Spectra

DFT calculations with the ωB97-D functional reproduce hydrogen bonding features of the far-infrared spectra of diethylmethylammonium methanesulfonate and diethylmethylammonium trifluoromethanesulfonate.

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