Unique orientations and rotational dynamics of a 1-butyl-3-methyl-imidazolium hexafluorophosphate ionic liquid at the gas–liquid interface: the effects of the hydrogen bond and hydrophobic interactions

2018 ◽  
Vol 20 (17) ◽  
pp. 12043-12052 ◽  
Author(s):  
Deshuai Yang ◽  
Fangjia Fu ◽  
Li Li ◽  
Zhen Yang ◽  
Zheng Wan ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Ionic Liquid ◽  
Hydrogen Bonding ◽  
Hydrophobic Interactions ◽  
Liquid Interface ◽  
Rotational Dynamics ◽  
Two Stage ◽  
Hydrogen Bonding Interactions ◽  
Rotational Motions

Two-stage rotational motions of the interfacial [BMIM]+ cations are essentially determined by both hydrophobic and hydrogen-bonding interactions.

scholarly journals Pentaaqua(1H-benzimidazole-5,6-dicarboxylato-κN3)cobalt(II) pentahydrate

2009 ◽  
Vol 65 (6) ◽  
pp. m702-m702 ◽  
Author(s):  
Wen-Dong Song ◽  
Hao Wang ◽  
Shi-Jie Li ◽  
Pei-Wen Qin ◽  
Shi-Wei Hu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Organic Ligand ◽  
Octahedral Geometry ◽  
Mononuclear Complex ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Hydrogen Bonding Interactions ◽  
Distorted Octahedral

In the title mononuclear complex, [Co(C9H4N2O4)(H2O)5]·5H2O, the CoIIatom exhibits a distorted octahedral geometry involving an N atom of a 1H-benzimidazole-5,6-dicarboxylate ligand and five water O atoms. A supramolecular network is generated through intermolecular O—H...O hydrogen-bonding interactions involving the coordinated and uncoordinated water molecules and the carboxyl O atoms of the organic ligand. An intermolecular N—H...O hydrogen bond is also observed.

The effect of introducing an ether group into an imidazolium-based ionic liquid in binary mixtures with DMSO

2020 ◽  
Vol 22 (27) ◽  
pp. 15734-15742 ◽  
Author(s):  
Yu Zhou ◽  
Xianzhen Xu ◽  
Zonghua Wang ◽  
Shida Gong ◽  
Hong Chen ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Hydrogen Bonding ◽  
Dimethyl Sulfoxide ◽  
Binary Mixtures ◽  
Ether Group ◽  
Hydrogen Bonding Interactions

Combined DFT and FTIR investigations reveal interesting hydrogen bonding interactions between dimethyl sulfoxide and an ether-functionalized imidazolium-based ionic liquid.

Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine

2018 ◽  
Vol 74 (1) ◽  
pp. 21-30 ◽  
Author(s):  
Wilhelm Maximilian Hützler ◽  
Michael Bolte
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Crystal Engineering ◽  
Rational Design ◽  
Three Dimensional ◽  
Good Reliability ◽  
Hydrogen Bond Acceptor ◽  
Hydrogen Bonding Interactions ◽  
Hydrogen Bonding Site ◽  
Hydrogen Bonded

Doubly and triply hydrogen-bonded supramolecular synthons are of particular interest for the rational design of crystal and cocrystal structures in crystal engineering since they show a high robustness due to their high stability and good reliability. The compound 5-methyl-2-thiouracil (2-thiothymine) contains an ADA hydrogen-bonding site (A = acceptor and D = donor) if the S atom is considered as an acceptor. We report herein the results of cocrystallization experiments with the coformers 2,4-diaminopyrimidine, 2,4-diamino-6-phenyl-1,3,5-triazine, 6-amino-3H-isocytosine and melamine, which contain complementary DAD hydrogen-bonding sites and, therefore, should be capable of forming a mixed ADA–DAD N—H...S/N—H...N/N—H...O synthon (denoted synthon 3s N·S;N·N;N·O), consisting of three different hydrogen bonds with 5-methyl-2-thiouracil. The experiments yielded one cocrystal and five solvated cocrystals, namely 5-methyl-2-thiouracil–2,4-diaminopyrimidine (1/2), C5H6N2OS·2C4H6N4, (I), 5-methyl-2-thiouracil–2,4-diaminopyrimidine–N,N-dimethylformamide (2/2/1), 2C5H6N2OS·2C4H6N4·C3H7NO, (II), 5-methyl-2-thiouracil–2,4-diamino-6-phenyl-1,3,5-triazine–N,N-dimethylformamide (2/2/1), 2C5H6N2OS·2C9H9N5·C3H7NO, (III), 5-methyl-2-thiouracil–6-amino-3H-isocytosine–N,N-dimethylformamide (2/2/1), (IV), 2C5H6N2OS·2C4H6N4O·C3H7NO, (IV), 5-methyl-2-thiouracil–6-amino-3H-isocytosine–N,N-dimethylacetamide (2/2/1), 2C5H6N2OS·2C4H6N4O·C4H9NO, (V), and 5-methyl-2-thiouracil–melamine (3/2), 3C5H6N2OS·2C3H6N6, (VI). Synthon 3s N·S;N·N;N·O was formed in three structures in which two-dimensional hydrogen-bonded networks are observed, while doubly hydrogen-bonded interactions were formed instead in the remaining three cocrystals whereby three-dimensional networks are preferred. As desired, the S atoms are involved in hydrogen-bonding interactions in all six structures, thus illustrating the ability of sulfur to act as a hydrogen-bond acceptor and, therefore, its value for application in crystal engineering.

scholarly journals Crystal structure of 2,5-dimethylanilinium hydrogen maleate

2014 ◽  
Vol 70 (11) ◽  
pp. o1183-o1184 ◽  
Author(s):  
Maha Mathlouthi ◽  
Daron E. Janzen ◽  
Mohamed Rzaigui ◽  
Wajda Smirani Sta
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Ammonium Group ◽  
Hydrogen Bonding Interactions ◽  
Graph Set

The crystal structure of the title salt, C8H12N+·C4H3O4−, consists of a 2,5-dimethylanilinium cation and an hydrogen maleate anion. In the anion, a strong intramolecular O—H...O hydrogen bond is observed, leading to anS(7) graph-set motif. In the crystal, the cations and anions pack in alternating layers parallel to (001). The ammonium group undergoes intermolecular N—H...O hydrogen-bonding interactions with the O atoms of three different hydrogen maleate anions. This results in the formation of ribbons extending parallel to [010] with hydrogen-bonding motifs of the typesR44(12) andR44(18).

Vibrational spectra, hydrogen bonding interactions and chemical reactivity analysis of nicotinamide–citric acid cocrystals by an experimental and theoretical approach

2019 ◽  
Vol 43 (40) ◽  
pp. 15956-15967 ◽  
Author(s):  
Priya Verma ◽  
Anubha Srivastava ◽  
Anuradha Shukla ◽  
Poonam Tandon ◽  
Manishkumar R. Shimpi
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Citric Acid ◽  
Physicochemical Properties ◽  
Vibrational Spectra ◽  
Theoretical Approach ◽  
Chemical Reactivity ◽  
Hydrogen Bond Interactions ◽  
Hydrogen Bonding Interactions

The hydrogen bond interactions in the cocrystal lead to spatial arrangements enhancing the physicochemical properties.

Correspondence: Hydrogen Bond to Gold? 1H NMR is Not a Proof of Hydrogen Bonds in Transition Metal Complexes

2018 ◽  
Author(s):  
Jan Vícha ◽  
Cina Foroutan-Nejad ◽  
Michal Straka
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Chemical Shifts ◽  
X Ray ◽  
Structure And Dynamics ◽  
Hydrogen Bonding Interactions ◽  
Overall Stability ◽  
Gold Compounds ◽  
C Nmr

Illusive Au<sup>I/III</sup>···H hydrogen bonds and their effect on structure and dynamics of molecules have been a matter of debate. While a number of X-ray studies reported gold compounds with short Au<sup>I/III</sup>···H contacts, a solid spectroscopic evidence for Au<sup>I/III</sup>···H bonding has been missing. Recently<a></a><a>, Bakar <i>et al.</i></a> (NATURE COMMUNICATIONS 8:576) reported compound with four short Au···H contacts (2.61­–2.66 Å; X-ray determined). Assuming the central cluster be [Au<sub>6</sub>]<sup>2+</sup>and observing the <sup>1</sup>H (<sup>13</sup>C) NMR resonances at relevant H(C) nuclei deshielded with respect to precursor compound, the authors concluded with reservations that <i>“the present Au···H–C interaction is a kind of “hydrogen bond”, where the [Au<sub>6</sub>]<sup>2+</sup>serves as an acceptor”</i>. Here, we show that the Au<sub>6</sub>cluster in their compound bears negative charge and the Au···H contacts lead to a weak (~1 kcal/mol) auride···hydrogen bonding interactions, though unimportant for the overall stability of<b></b>the molecule. Additionally, computational analysis of NMR chemical shifts reveals that the deshielding effects at respective hydrogen nuclei are not directly related to Au···H–C hydrogen bonding .

scholarly journals Photoluminescence of self-assembled Ag(i) and Au(i) N-heterocyclic carbene complexes. Interplay the aurophilic, hydrogen bonding and hydrophobic interactions

RSC Advances ◽  
2017 ◽  
Vol 7 (24) ◽  
pp. 14611-14617 ◽  
Author(s):  
Herbert J. H. Syu ◽  
Josh Y. Z. Chiou ◽  
Ju-Chun Wang ◽  
Ivan J. B. Lin
Keyword(s):  
Hydrogen Bonding ◽  
Liquid Crystal ◽  
Phase Formation ◽  
Alkyl Chain ◽  
Hydrophobic Interactions ◽  
Hydroxyl Group ◽  
Liquid Crystal Phase ◽  
Carbene Complexes ◽  
Hydrogen Bonding Interactions ◽  
Long Alkyl Chain

The incorporation of a 2-hydroxyl group at the long alkyl chain of NHC increases the hydrogen bonding interactions and thus induces the liquid crystal phase formation for the tetra nuclear Ag–NHC complex.

Initial dissolution of D2O at the gas–liquid interface of the ionic liquid [C4min][NTf2] associated with hydrogen-bond network formation

2016 ◽  
Vol 18 (40) ◽  
pp. 28061-28068 ◽  
Author(s):  
H. Ohoyama ◽  
T. Teramoto
Keyword(s):  
Hydrogen Bond ◽  
Ionic Liquid ◽  
Collision Energy ◽  
Network Formation ◽  
Liquid Interface ◽  
Hydrogen Bond Network ◽  
Interfacial Surface ◽  
Bond Network

The initial dissolution of D2O at the interfacial surface of the flowing jet sheet beam of the ionic liquid (IL) [C4min][NTf2] was measured using the King and Wells method as a function of both the temperature and collision energy of the IL.

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