scholarly journals Intermolecular hydrogen bond ruptured by graphite with different lamellar number

2021 ◽  
Vol 8 (9) ◽  
pp. 210565
Author(s):  
Yanchao Yin ◽  
Guoliang Zhang ◽  
Xianmang Xu ◽  
Peiyu Zhao ◽  
Liran Ma
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Intermolecular Hydrogen Bond ◽  
Chemical Properties ◽  
Physical Method ◽  
Intermolecular Hydrogen Bonds ◽  
Partial Negative Charge ◽  
Viscosity Reducer ◽  
Electron Microscopes ◽  
Physical And Chemical

Intermolecular hydrogen bonds are formed through the electrostatic attraction between the hydrogen nucleus on a strong polar bond and high electronegative atom with an unshared pair of electrons and a partial negative charge. It affects the physical and chemical properties of substances. Based on this, we presented a physical method to modulate intermolecular hydrogen bonds for not changing the physical–chemical properties of materials. The graphite and graphene are added into the glycerol, respectively, by being used as a viscosity reducer in this paper. The samples are characterized by Raman and 1H-nuclear magnetic resonance. Results show that intermolecular hydrogen bonds are adjusted by graphite or graphene. The rheology of glycerol is reduced to varying degrees. Transmission electron microscopes and computer simulation show that the spatial limiting action of graphite or graphene is the main cause of breaking the intermolecular hydrogen bond network structure. We hope this work reveals the potential interplay between nanomaterials and hydroxyl liquids, which will contribute to the field of solid–liquid coupling lubrication.

Intermolecular Hydrogen Bond Plays a Determining Role in Product Selection of Surface Confined Schiff-base Reaction

2021 ◽  
Author(s):  
Huamei Chen ◽  
Guangyuan Feng ◽  
Qiu Liang ◽  
Enbing Zhang ◽  
Yongtao Shen ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Relative Abundance ◽  
Intermolecular Hydrogen Bond ◽  
Intermolecular Hydrogen Bonds ◽  
Product Selection ◽  
Selection Of

Herein, we illustrate how the cooperation of intermolecular hydrogen bonds and conformation flexibility leads to the formation of diverse complex covalent nanostructures on the surface, while the relative abundance of...

1-(4-Chlorophenyl)-4-(2-furoyl)-3-(2-furyl)-1H-pyrazol-5-ol

2007 ◽  
Vol 63 (3) ◽  
pp. o1289-o1290 ◽  
Author(s):  
Jin-Zhou Li ◽  
Heng-Qiang Zhang ◽  
Hong-Xin Li ◽  
Pi-Zhi Che ◽  
Tian-Chi Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Intermolecular Hydrogen Bond ◽  
Hydroxyl Groups ◽  
Intermolecular Hydrogen Bonds ◽  
Compound C ◽  
Graph Set

The crystal structure of the title compound, C18H11ClN2O4, contains intra- and intermolecular hydrogen bonds that link the ketone and hydroxyl groups. The intermolecular hydrogen bond results in the formation of a dimer with an R 2 2(12) graph-set motif.

A Comparison of the Enamino Carbonyl Conjugation Efficiency for Hydrogen Bonding Formation in Pyridone and Dihydropyridone Systems

2000 ◽  
Vol 55 (1) ◽  
pp. 5-11 ◽  
Author(s):  
Teresa Borowiak ◽  
Irena Wolska ◽  
Artur Korzański ◽  
Wolfgang Milius ◽  
Wolfgang Schnick ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Steric Hindrance ◽  
Crystal Packing ◽  
Intermolecular Hydrogen Bond ◽  
Asymmetric Unit ◽  
Intermolecular Hydrogen Bonds

The crystal structures of two compounds containing enaminone heterodiene systems and forming intermolecular hydrogen bonds N-H·O are reported: 1) 3-ethoxycarbonyl-2-methyl-4-pyridone (hereafter ETPY) and 2) 3-ethoxycarbonyl-2-phenyl-6-methoxycarbonyl-5,6-di-hydro-4-pyridone (hereafter EPPY). The crystal packing is controlled by intermolecular hydro­ gen bonds N-H·O = C connecting the heteroconjugated enaminone groups in infinite chains. In ETPY crystals the intermolecular hydrogen bond involves the heterodienic pathway with the highest π-delocalization that is effective for a very short N·O distance of 2.701(9) Å (average from two molecules in the asymmetric unit). Probably due to the steric hindrance, the hydrogen bond in EPPY is formed following the heterodienic pathway that involves the ester C = O group, although π-delocalization along this pathway is less than that along the pyridone-part pathway resulting in a longer N·O distance of 2.886(3) Å

The Effect of Different Hydrogen Bonding Schemes on Melting Points of Two Isomeric 2-Hydroxy-bornane-3-carboxylic Acids

2000 ◽  
Vol 55 (8) ◽  
pp. 671-676 ◽  
Author(s):  
Maciej Kubicki ◽  
Teresa Borowiak ◽  
Wiesław Z. Antkowiak
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Melting Point ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Intermolecular Hydrogen Bond ◽  
Melting Points ◽  
Intermolecular Hydrogen Bonds ◽  
X Ray ◽  
Single Crystal Analysis

Abstract The crystal structures of two isomeric compounds, 2-endo-hydroxybornane-3-endo-carboxylic acid and 2 -exo -hydroxybomane-3 -endo-carboxylic acid, have been determined by X-ray single crystal analysis. The only difference between these two compounds is the disposition of the 2-hydroxy group with respect to the bomane skeleton. Both compounds show quite different hydrogen bonding schemes. In the endo-hydroxy-endo-carboxy isomer there is one intramolecular and one intermolecular hydrogen bond, which connects molecules into infinite chains, while in the exo-hydroxy-endo-carboxy isomer there are two intermolecular hydrogen bonds that form a more stable architecture of two kinds of chains which interconnect to close rings comprising four molecules. Due to these differences the melting point of 2 is ca. 30° higher than for 1 .

scholarly journals C–H⋯F Hydrogen Bond and Integral Intensities of Vinyl C–H Vibtations in Push-Pull β-Dimethylaminotrifluoromethyl Ketone and Its Deuterated Analog

2013 ◽  
Vol 2013 ◽  
pp. 1-13 ◽  
Author(s):  
Sergei Vdovenko ◽  
Igor Gerus ◽  
Elena Fedorenko ◽  
Valery Kukhar
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dft Calculations ◽  
Intramolecular Hydrogen Bond ◽  
Infrared Spectra ◽  
Intermolecular Hydrogen Bond ◽  
Intermolecular Hydrogen Bonds ◽  
Accurate Analysis ◽  
Deuterated Analog ◽  
Intramolecular Hydrogen

The accurate analysis of infrared spectra (both wavenumbers and intensities) of (E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one (DMTBN) and (E)-4-(hexadeutero-dimethylamino)-1,1,1-trifluorobut-3-en-2-one (d6-DMTBN) revealed that besides intramolecular hydrogen bond in the (EE) conformer, these enaminoketones form cyclic dimers between the (EZ) and (EE) conformers due to intermolecular hydrogen bonds, namely, O=C and . Evaluation of constant and enthalpy of formation of these H-bonds revealed that O=C bond has greater and more negative than bond (cf. 214.4 M−1, −21.7 kJ M−1dm3, and 16.4 M−1, −6.7 kJ M−1dm3, resp.). Consequently, stronger H-bond ⋯O=C is formed in the first place, whereas weaker H-bond is formed afterward. Moreover, formation of intermolecular hydrogen bond has influence on C–F vibrations, but analysis of this influence must take into account the fact that these vibrations in some cases are coupled with . True enthalpy of the equilibrium (EZ)⇌(EE) is positive (25.3 kJ M−1dm3), thus confirming results of DFT calculations, according to which the (EZ) conformer is more stable than the (EE) one.

Sila-Pharmaka, 31. Mitt. [1] Synthese, Struktur und pharmakologische Eigenschaften von Diphenyl(2-piperidinoethoxymethyl)silanol und seinem Kohlenstoff-Analogon / Sila-Pharmaca, 31 th Communication [1] Synthesis, Structure, and Pharmacological Properties of Diphenyl(2-piperidinoethoxymethyl)silanol and its Carbon Analogue

1983 ◽  
Vol 38 (6) ◽  
pp. 738-746 ◽  
Author(s):  
Reinhold Tacke ◽  
Hartwig Lange ◽  
William S. Sheldrick ◽  
Günter Lambrecht ◽  
Ulrich Moser ◽  
...  
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Chemical Properties ◽  
Pharmacological Properties ◽  
Physical And Chemical Properties ◽  
Antimuscarinic Agents ◽  
Physical And Chemical ◽  
And Chemical Properties

Abstract In the course of systematic investigations on sila-substituted parasympatholytics the diphenyl(2-aminoethoxymethyl)silanols 3b and 4b (and its carbon analogue 4a) were synthesized and characterized by their physical and chemical properties. In the solid state 4a and 4b form strong O-H---N hydrogen bonds, which are intramolecular (4a) and intermolecular (4b), respectively. 4a and 4b were found to be weak antimuscarinic agents (4b >4a) and strong papaverine-like spasmolytics (4a ≈4b).

scholarly journals Crystal structure of [bis(2,6-diisopropylphenyl) phosphato-κO]tris(methanol-κO)lithium methanol monosolvate

2015 ◽  
Vol 71 (5) ◽  
pp. 443-446 ◽  
Author(s):  
Mikhail E. Minyaev ◽  
Ilya E. Nifant'ev ◽  
Alexander N. Tavtorkin ◽  
Sof'ya A. Korchagina ◽  
Shadana Sh. Zeynalova
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Tetrahedral Coordination ◽  
Intermolecular Hydrogen Bonds ◽  
Coordination Environment ◽  
The Family ◽  
Phosphate Diesters ◽  
Distorted Tetrahedral Coordination

Crystals of the title compound, [Li{OOP(O-2,6-iPr2C6H3)2}(CH3OH)3]·CH3OH or [Li(C24H34O4P)(CH3OH)3]·CH3OH, have been formed in the reaction between HOOP(O-2,6-iPr2C6H3)2and LiOH in methanol. The title compound is of interest as it represents the first reported crystal structure of the family of lithium phosphate diesters. The {Li(CH3OH)3[O2P(O-iPr2C6H3)2]} unit displays the Li atom in a slightly distorted tetrahedral coordination environment and exhibits one intramolecular O—H...O hydrogen bond between a coordinating methanol molecule and the terminal non-coordinating O atom of the phosphate group. The unit is connected with two non-coordinating methanol molecules through two intermolecular O—H...O hydrogen bonds, and with a neighbouring unit through two other O—H...O interactions. These intermolecular hydrogen bonds lead to the formation of infinite chains along [100]. There are no significant interactions between the chains.

scholarly journals Nickel alendronate

2012 ◽  
Vol 68 (6) ◽  
pp. m820-m821 ◽  
Author(s):  
Małgorzata Sikorska ◽  
Maria Gazda ◽  
Jaroslaw Chojnacki
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Intermolecular Hydrogen Bond ◽  
Hydrothermal Conditions ◽  
Complex Molecules ◽  
Hydrogen Bond System ◽  
Bond System

The title compound {systematic name: bis(μ2-dihydrogen 4-azaniumyl-1-hydroxybutane-1,1-diphosphonato)bis[aqua(dihydrogen 4-azaniumyl-1-hydroxybutane-1,1-diphosphonato)nickel(II)] dihydrate}, [Ni2(C4H12NO7P2)4(H2O)2]·2H2O, was synthesiized under hydrothermal conditions. Its structure is isotypic with the CoII analogue. The crystal structure is built up from centrosymmetric dinuclear complex molecules and the structure is reinforced by a net of intermolecular O—H...O and N—H...O hydrogen bonds. One water molecule is bound to the NiII atom in the octahedral coordination sphere, while the second is part of the intermolecular hydrogen-bond system.

scholarly journals 4-(Pyrimidin-2-yl)piperazin-1-ium (E)-3-carboxyprop-2-enoate

2014 ◽  
Vol 70 (6) ◽  
pp. o702-o703 ◽  
Author(s):  
Thammarse S. Yamuna ◽  
Manpreet Kaur ◽  
Jerry P. Jasinski ◽  
H. S. Yathirajan
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Intermolecular Hydrogen Bond ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Dimensional Structure ◽  
Three Dimensional Structure ◽  
Axis Direction ◽  
Π Interactions ◽  
Centroid Distance

In the cation of the title salt, C8H13N4+·C4H3O4−, the piperazinium ring adopts a slightly distorteded chair conformation. In the crystal, a single strong O—H...O intermolecular hydrogen bond links the anions, forming chains along thec-axis direction. The chains of anions are linked by the cations,viaN—H...O hydrogen bonds, forming sheets parallel to (100). These layers are linked by weak C—H...O hydrogen bonds, forming a three-dimensional structure. In addition, there are weak π–π interactions [centroid–centroid distance = 3.820 (9) Å] present involving inversion-related pyrimidine rings.

scholarly journals Interactions of Aggregating Peptides Probed by IR-UV Action Spectroscopy

2018 ◽  
Author(s):  
Sjors Bakels ◽  
E.M. Meijer ◽  
Mart Greuell ◽  
Sebastiaan Porskamp ◽  
George Rouwhorst ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Self Assembly ◽  
Intermolecular Hydrogen Bond ◽  
Beta Sheet ◽  
Dispersion Interactions ◽  
Intramolecular Hydrogen Bonds ◽  
Action Spectroscopy ◽  
Hydrogen Bond Interactions ◽  
Intramolecular Hydrogen

Peptide aggregation, the self-assembly of peptides into structured beta-sheet fibril structures, is driven by a combination of intra- and intermolecular interactions. Here, the interplay between intramolecular and formed inter-sheet hydrogen bonds and the effect of dispersion interactions on the formation of neutral, isolated, peptide dimers is studied by infrared action spectroscopy. Therefore, four different homo- and hetereogeneous dimers formed from three different alanine-based model peptides have been studied under controlled and isolated conditions. The peptides differ from one another in the presence and location of a UV chromophore containing cap on either the C- or N-terminus. Conformations of the monomers of the peptides direct the final dimer structure: strongly hydrogen bonded or folded structures result in weakly bound dimers. Here the intramolecular hydrogen bonds are favored over new intermolecular hydrogen bond interactions. In contrast, linearly folded monomers are the ideal template to form parallel beta-sheet type structures. The weak intramolecular hydrogen bonds present in the linear monomers are replaced by the stronger inter-sheet hydrogen bond interactions. The influence of π-π disperion interactions on the structure of the dimer is minimal, the phenyl rings have the tendency to fold away from the peptide backbone to favour intermolecular hydrogen bond interactions. Quantum chemical calculations confirm our experimental observations.

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