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Hydrogen Bonds [PDF]

open access: yesMolecules, 2023
The Topical Collection “Hydrogen Bonds” is a continuation of the previous Special Issue “Intramolecular Hydrogen Bonding 2021” [...]
Mirosław Jabłoński
doaj   +5 more sources

On the similar spectral manifestations of protonic and hydridic hydrogen bonds despite their different origin [PDF]

open access: yesCommunications Chemistry
Previously studied complexes with protonic and hydridic hydrogen bonds exhibit significant similarities. The present study provides a detailed investigation of the structure, stabilization, electronic properties, and spectral characteristics of protonic ...
Maximilián Lamanec   +2 more
doaj   +2 more sources

Dynamic anti-correlations of water hydrogen bonds [PDF]

open access: yesNature Communications
Water is characterized by strong intermolecular hydrogen bonds (H-bonds) between molecules. The two hydrogen atoms in one water molecule can form H-bonds of dissimilar length. Although intimately connected to water’s anomalous properties, the details and
Lucas Gunkel   +6 more
doaj   +2 more sources

The interplay between hydrogen bonds and stacking/T-type interactions in molecular cocrystals [PDF]

open access: yesCommunications Chemistry
Supramolecular synthon and hydrogen bond pairing approaches have influenced the understanding of cocrystal formation for decades, but are hydrogen bonds really the dominant interaction in cocrystals?
Aurora J. Cruz-Cabeza   +2 more
doaj   +2 more sources

The role of backbone hydrogen bonds in the transition state for protein folding of a PDZ domain. [PDF]

open access: yesPLoS ONE, 2014
Backbone hydrogen bonds are important for the structure and stability of proteins. However, since conventional site-directed mutagenesis cannot be applied to perturb the backbone, the contribution of these hydrogen bonds in protein folding and stability ...
Søren W Pedersen   +3 more
doaj   +3 more sources

Hydrogen and Lithium Bonds—Lewis Acid Units Possessing Multi-Center Covalent Bonds

open access: yesMolecules, 2021
MP2/aug-cc-pVTZ calculations were carried out on complexes wherein the proton or the lithium cation is located between π-electron systems, or between π-electron and σ-electron units.
Mohammad Aarabi   +2 more
doaj   +1 more source

A topologia molecular QTAIM e a descrição mecânico-quântica de ligações de hidrogênio e ligações de di-hidrogênio The QTAIM molecular topology and the quantum-mechanical description of hydrogen bonds and dihydrogen bonds

open access: yesQuímica Nova, 2010
Hydrogen bonds formed through the interaction between a high electronic density center (lone electron pairs, π or pseudo-π bonds) and proton donors cause important electronic and vibrational phenomena in many systems.
Boaz G. Oliveira   +2 more
doaj   +1 more source

Allylammonium hydrogen oxalate hemihydrate

open access: yesActa Crystallographica Section E, 2014
In the title hydrated molecular salt, C3H8N+·C2HO4−·0.5H2O, the water O atom lies on a crystallographic twofold axis. The C=C—C—N torsion angle in the cation is 2.8 (3)° and the dihedral angle between the CO2 and CO2H planes in the anion is 1.0 (4)°.
Błażej Dziuk   +2 more
doaj   +1 more source

Tetramethylammonium dihydrogen phosphate hemihydrate

open access: yesActa Crystallographica Section E, 2009
In the crystal structure of the title compound, C4H12N+·H2PO4−·0.5H2O, the anions form an infinite hydrogen-bonded chain along the [1overline{1}0] direction.
Kyoko Fujita   +3 more
doaj   +1 more source

Hydrogen bonds in PC61BM solids

open access: yesAIP Advances, 2015
We have studied the hydrogen bonds in PC61BM solids. Inter-molecular interaction is analyzed theoretically for the well-defined monoclinic (P21/n) structure.
Chun-Qi Sheng   +6 more
doaj   +1 more source

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