Results 1 to 10 of about 2,189,236 (165)

“Hydridic Hydrogen-Bond Donors” Are Not Hydrogen-Bond Donors [PDF]

Journal of the American Chemical Society
Herein, we dismiss a recent proposal by Civiš, Hobza, and co-workers to modify the IUPAC definition of hydrogen bonds in order to expand the scope from protonic Y-Hδ+ to hydridic Y-Hδ- hydrogen-bond donor fragments [J. Am. Chem. Soc. 2023, 145, 8550].
Lucas de Azevedo Santos, Pascal Vermeeren, F. Matthias Bickelhaupt, Célia Fonseca Guerra   +3 more
openaire   +5 more sources

Nature of the Hydrogen Bond Enhanced Halogen Bond [PDF]

Molecules, 2021
The factors responsible for the enhancement of the halogen bond by an adjacent hydrogen bond have been quantitatively explored by means of state-of-the-art computational methods. It is found that the strength of a halogen bond is enhanced by ca. 3 kcal/mol when the halogen donor simultaneously operates as a halogen bond donor and a hydrogen bond ...
Susana Portela, Israel Fernández
openaire   +6 more sources

Hydrogen bond network connectivity in the electric double layer dominates the kinetic pH effect in hydrogen electrocatalysis on Pt

Nature Catalysis, 2022
The origin of the large kinetic pH effect in hydrogen electrocatalysis, that is, the approximately two orders of magnitude decrease in reaction kinetics when moving from acid to alkaline, remains far from having a consensus.
Peng Li, Yaling Jiang, Youcheng Hu, Yana Men, Yuwen Liu, Wenbin Cai, Shengli Chen   +6 more
semanticscholar   +1 more source

Revealing the Reasons for Degeneration of Resonance-Assisted Hydrogen Bond on the Aromatic Platform: Calculations of Ortho-, Meta-, Para-Disubstituted Benzenes, and (Z)-(E)-Olefins

Molecules, 2023
The energies of the O−H∙∙∙O=C intramolecular hydrogen bonds were compared quantitatively for the series of ortho-disubstituted benzenes and Z-isomers of olefins via a molecular tailoring approach.
Andrei V. Afonin, Danuta Rusinska-Roszak
doaj   +1 more source

A versatile hydrogel network–repairing strategy achieved by the covalent-like hydrogen bond interaction

Science Advances, 2022
Hydrogen bond engineering is widely exploited to impart stretchability, toughness, and self-healing capability to hydrogels. However, the enhancement effect of conventional hydrogen bonds is severely limited by their weak interaction strength. In nature,
Zilong Han, Peng Wang, Yuchen Lu, Zheng Jia, S. Qu, Wei Yang   +5 more
semanticscholar   +1 more source

1H and 19F NMR chemical shifts for hydrogen bond strength determination: Correlations between experimental and computed values

Journal of Magnetic Resonance Open, 2022
1H and 19F NMR methods based on chemical shift measurements of different hydrogen bond donors used for quantifying hydrogen bond strength were analyzed and compared. The extracted values from these different methods are shown to be highly correlated with
Claudio Dalvit, Marina Veronesi, Anna Vulpetti   +2 more
doaj   +1 more source

Studies of Hydrogen Bond Vibrations of Hydrogen-Disordered Ice Ic

Crystals, 2021
The hydrogen-disordered structure of ice, Ic, makes it difficult to analyze the vibrational normal modes in the far-infrared region (i.e., the molecular translation band).
Xu-Hao Yu, Xiao-Ling Qin, Xiao-Tong Dong, Jing-Wen Cao, Xu-Liang Zhu, Hao-Cheng Wang, Yan-Ju Sun, Zi-Xun Xu, Peng Zhang   +8 more
doaj   +1 more source

Interfacial chemical bond and internal electric field modulated Z-scheme Sv-ZnIn2S4/MoSe2 photocatalyst for efficient hydrogen evolution

Nature Communications, 2021
Construction of Z-scheme heterostructure is of great significance for realizing efficient photocatalytic water splitting. However, the conscious modulation of Z-scheme charge transfer is still a great challenge. Herein, interfacial Mo-S bond and internal
Xuehua Wang, Xianghu Wang, Jianfeng Huang, Shaoxiang Li, A. Meng, Zhenjiang Li   +5 more
semanticscholar   +1 more source

Hydrogen Bonds

Molecules, 2023
The Topical Collection “Hydrogen Bonds” is a continuation of the previous Special Issue “Intramolecular Hydrogen Bonding 2021” [...]
openaire   +3 more sources

Hydrogen bond design principles

Wiley Interdisciplinary Reviews. Computational Molecular Science, 2020
Hydrogen bonding principles are at the core of supramolecular design. This overview features a discussion relating molecular structure to hydrogen bond strengths, highlighting the following electronic effects on hydrogen bonding: electronegativity ...
L. Karas, Chia-Hua Wu, Ranjita Das, J. Wu   +3 more
semanticscholar   +1 more source