Results 1 to 10 of about 2,615,661 (354)

"Hydridic Hydrogen-Bond Donors" Are Not Hydrogen-Bond Donors. [PDF]

J Am Chem Soc
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].
de Azevedo Santos L, Vermeeren P, Bickelhaupt FM, Fonseca Guerra C.   +3 more
europepmc   +7 more sources

Quantifying the ability of the CF2H group as a hydrogen bond donor [PDF]

Beilstein Journal of Organic Chemistry
The CF2H group can act as a hydrogen bond donor, serving as a potential surrogate for OH or SH groups but with a weaker hydrogen bond donation ability.
Matthew E. Paolella, Daniel S. Honeycutt, Bradley M. Lipka, Jacob M. Goldberg, Fang Wang   +4 more
doaj   +2 more sources

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

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

Nature of the Hydrogen Bond Enhanced Halogen Bond

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.
Susana Portela, Israel Fernández
doaj   +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   +4 more sources

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

N′-(5-Bromo-2-hydroxybenzylidene)-3,4,5-trihydroxybenzohydrazide dihydrate

Acta Crystallographica Section E, 2008
The title compound, C14H11BrN2O5·2H2O, crystallizes as hydrogen-bonded sheets. The 2-hydroxy group on the benzylidene group forms an intramolecular hydrogen bond to the N atom of the C=N double bond.
Hapipah M. Ali, Subramaniam Puvaneswary, Ward T. Robinson, Seik Weng Ng, Abeer A. Alhadi   +4 more
doaj   +1 more source

Hydrogen Bond Blueshifts in Nitrile Vibrational Spectra Are Dictated by Hydrogen Bond Geometry and Dynamics [PDF]

JACS Au
Jacob M. Kirsh, Jacek Kozuch
doaj   +2 more sources

Study on the turn structure of polypeptides containing glycine and L-proline

Journal of Hebei University of Science and Technology, 2016
The formation of turn structure in peptide chains has direct relations with intramolecular hydrogen bonds, therefore the existence of this bond can be tested to research the turn structure.
Yong ZHANG, Yanmei SUN, Xianrui YUAN, Yihua YANG   +3 more
doaj   +1 more source