On the physical origin of the cation–anion intermediate bond in ionic liquids Part I. Placing a (weak) hydrogen bond between two charges

2010 ◽  
Vol 12 (27) ◽  
pp. 7473 ◽  
Author(s):  
Sebastian B. C. Lehmann ◽  
Martin Roatsch ◽  
Matthias Schöppke ◽  
Barbara Kirchner
Keyword(s):  
Hydrogen Bond ◽  
Ionic Liquids ◽  
Weak Hydrogen Bond ◽  
Physical Origin ◽  
Intermediate Bond

scholarly journals Chalcogen Bond versus Weak Hydrogen Bond: Changing Contributions in Determining the Crystal Packing of [1,2,5]-Chalcogenadiazole-Fused Tetracyanonaphthoquinodimethanes

2021 ◽  
Vol 03 (02) ◽  
pp. 090-096
Author(s):  
Yusuke Ishigaki ◽  
Kota Asai ◽  
Takuya Shimajiri ◽  
Tomoyuki Akutagawa ◽  
Takanori Fukushima ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Density Functional ◽  
Molecular Design ◽  
Crystal Packing ◽  
Cyano Group ◽  
Density Functional Theory Calculations ◽  
Weak Hydrogen Bond ◽  
Functional Theory ◽  
Chalcogen Bond ◽  
Thiadiazole Ring

The crystal structures of a series of tetracyanonaphthoquinodimethanes fused with a selenadiazole or thiadiazole ring revealed that their molecular packing is determined mainly by two intermolecular interactions: chalcogen bond (ChB) and weak hydrogen bond (WHB). ChB between Se and a cyano group dictates the packing of selenadiazole derivatives, whereas the S-based ChB is much weaker and competes with WHB in thiadiazole analogues. This difference can be explained by different electrostatic potentials as revealed by density functional theory calculations. A proper molecular design that weakens WHB can change the contribution of ChB in determining the crystal packing of thiadiazole derivatives.

scholarly journals Measurement of the hydrogen bond acceptance of ionic liquids and green solvents by the 19F solvatomagnetic comparison method

2021 ◽  
Author(s):  
Christian Laurence ◽  
Sergui Mansour ◽  
Daniela Vuluga ◽  
Julien Legros
Keyword(s):  
Hydrogen Bond ◽  
Ionic Liquids ◽  
Comparison Method ◽  
Green Solvents ◽  
Reliable Measurement

A 19F solvatomagnetic comparison of 4-fluorophenol and 4-fluoroanisole yields a more reliable measurement of the hydrogen-bond acceptance of ionic liquids and green solvents than the solvatochromic comparison method.

Influence of a Weak Hydrogen Bond on Vibrational Coherence Probed by Photon Echoes in DCl Dimer Trapped in Solid Nitrogen

2005 ◽  
Vol 109 (22) ◽  
pp. 4873-4880 ◽  
Author(s):  
M. Broquier ◽  
C. Crépin ◽  
A. Cuisset ◽  
H. Dubost ◽  
J. P. Galaup
Keyword(s):  
Hydrogen Bond ◽  
Weak Hydrogen Bond ◽  
Vibrational Coherence ◽  
Photon Echoes ◽  
Solid Nitrogen

Selective adsorption behaviour of carbon dioxide in OH-functionalized metal–organic framework materials

CrystEngComm ◽  
2017 ◽  
Vol 19 (36) ◽  
pp. 5346-5350 ◽  
Author(s):  
Jinjie Qian ◽  
Jinni Shen ◽  
Qipeng Li ◽  
Yue Hu ◽  
Shaoming Huang
Keyword(s):  
Carbon Dioxide ◽  
Hydrogen Bond ◽  
Selective Adsorption ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Adsorption Behaviour ◽  
Weak Hydrogen Bond ◽  
Oh Groups ◽  
Framework Materials ◽  
Metal Organic

The theoretically optimal adsorption locations in hydroxyl (OH)-decorated metal–organic frameworks show that the captured CO2 molecules interact with the cis-μ2-OH groups in an end-on mode, which shows a moderate to weak hydrogen bond.

scholarly journals 2-Oxo-2H-chromen-7-yl 4-methylbenzoate

IUCrData ◽  
2018 ◽  
Vol 3 (7) ◽  
Author(s):  
Abdoulaye Djandé ◽  
Akoun Abou ◽  
Félix Kini ◽  
Konan René Kambo ◽  
Michel Giorgi
Keyword(s):  
Hydrogen Bond ◽  
Title Compound ◽  
Acute Angle ◽  
Membered Ring ◽  
Hirshfeld Surface ◽  
Supramolecular Interactions ◽  
Stacking Interactions ◽  
Weak Hydrogen Bond ◽  
Compound C ◽  
Benzene Rings

In the title compound, C17H12O4, the benzoate ring is oriented at an acute angle of 60.14 (13)° relative to the coumarin plane (r.m.s. deviation = 0.006 Å). This conformation is stabilized by an intramolecular C—H...O weak hydrogen bond, which forms a five-membered ring. Also present are π–π stacking interactions between neighbouring pyrone and benzene rings [centroid-to-centroid distances in the range 3.6286 (1)–3.6459 (1) Å] and C=O...π interactions [O...centroid distances in the range 3.2938 (1)–3.6132 (1) Å]. Hirshfeld surface analysis has been used to confirm and quantify the supramolecular interactions.

Effect of hydrogen bond of hydroxyl-functionalized ammonium ionic liquids on cycloaddition of CO2

2015 ◽  
Vol 56 (11) ◽  
pp. 1416-1419 ◽  
Author(s):  
Weiguo Cheng ◽  
Benneng Xiao ◽  
Jian Sun ◽  
Kun Dong ◽  
Peng Zhang ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Ionic Liquids ◽  
Ammonium Ionic Liquids

scholarly journals Hydrogen bond basicity of ionic liquids and molar entropy of hydration of salts as major descriptors in the formation of aqueous biphasic systems

2018 ◽  
Vol 20 (20) ◽  
pp. 14234-14241 ◽  
Author(s):  
Helena Passos ◽  
Teresa B. V. Dinis ◽  
Ana Filipa M. Cláudio ◽  
Mara G. Freire ◽  
João A. P. Coutinho
Keyword(s):  
Hydrogen Bond ◽  
Ionic Liquid ◽  
Ionic Liquids ◽  
Predictive Model ◽  
Aqueous Biphasic Systems ◽  
Molar Entropy ◽  
Liquid Salt ◽  
Hydrogen Bond Basicity ◽  
Aqueous Biphasic ◽  
Biphasic Systems

A predictive model for ionic liquid/salt aqueous biphasic systems’ formation based on the hydrogen bond basicity of ionic liquids and molar entropy of hydration of salts.

COSMO-RS predictions, hydrogen bond basicity values and experimental evaluation of amino acid-based ionic liquids for lignocellulosic biomass dissolution

2019 ◽  
Vol 273 ◽  
pp. 215-221 ◽  
Author(s):  
Jibran Iqbal ◽  
Nawshad Muhammad ◽  
Abdur Rahim ◽  
Amir Sada Khan ◽  
Zahoor Ullah ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Ionic Liquids ◽  
Amino Acid ◽  
Lignocellulosic Biomass ◽  
Experimental Evaluation ◽  
Biomass Dissolution ◽  
Hydrogen Bond Basicity
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