Results 1 to 10 of about 323,304 (307)

Elucidation of Charge Contribution in Iridium-Chelated Hydrogen-Bonding Systems [PDF]

Frontiers in Chemistry, 2021
We present two iridium complexes 1H+ and 2H+ that contain cationic ligands to extend the knowledge of charge-assisted hydrogen bonding (CAHB), which counts among the strongest non-covalent bonding interactions.
Barbora Balónová, Barry A. Blight
doaj   +2 more sources

A quantum chemical study of the interaction of carboxylic acids with DMSO

Mongolian Journal of Chemistry, 2022
Quantum chemical computational methods, which use quantum mechanics and molecular dynamics theory, have developed rapidly in the past few decades, and quantum chemical computation has penetrated almost all fields of chemistry.
Mu Ren, Ao Rigele, Na Shun, Narantsogt Natsagdorj   +3 more
doaj   +1 more source

Factors affecting the refractive index of amino acid-based deep eutectic solvents

Chemical Thermodynamics and Thermal Analysis, 2021
Effect of hydrogen-bonding donor, hydrogen-bonding acceptor, mole ratio, components and temperature on the refractive index of amino acid-based DESs is investigated.
Yu Chen, Xiaoxia Peng, Zixin Bi, Dongkun Yu, Yixuan Zhang, Yuting Guo, Xiaoqing Yang, Baolong Zhang, Tiancheng Mu   +8 more
doaj   +1 more source

Intramolecular Hydrogen Bonding 2021

Molecules, 2021
Undoubtedly, hydrogen bonds occupy a leading place in the rich world of intermolecular interactions [...]
Mirosław Jabłoński
doaj   +1 more source

Synthesis and structure of clozapine N-oxide hemi(hydrochloride): an infinite hydrogen-bonded poly[n]catenane

Acta Crystallographica Section E: Crystallographic Communications, 2022
The structure of the title compound, 2C18H19ClN4O·HCl or (CNO)2·HCl (C36H39Cl3N8O2), at 100 K has tetragonal (I4/m) symmetry. The dihedral angle between the benzene rings of the fused ring system of the CNO molecule is 40.08 (6)° and the equivalent angle
Phillip L. van der Peet, Rohan D. Joyce, Holger Ott, Sebastian M. Marcuccio, Jonathan M. White, Spencer J. Williams   +5 more
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   +3 more sources

Single crystal X-ray structural dataset of 1,2,4-dithiazolium tetrafluoroborate

Data in Brief, 2022
Herein, we present the crystallographic dataset of 1,2,4-dithiazolium tetrafluoroborate. Single crystal X-ray structural analysis evidences that the 1,2,4-dithiazolium ring is almost planar. The 1,2,4-dithiazolium and tetrafluoroborate ions contribute in
Balasubramaniam Arul Prakasam, Chandran Udhaya Kumar, Manu Lahtinen, Anssi Peuronen, Mika Sillanpää   +4 more
doaj   +1 more source

Ethidium heptafluorobutyrate

IUCrData, 2022
In the title compound (systematic name: 3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium 2,2,3,3,4,4,4-heptafluorobutyrate), C21H20N3+·C4F7O2−, two ethidium ions, C21H20N3+ form a dimerized structure due to π–π interactions, even though they are ...
Runa Shimazaki, Masaaki Sadakiyo
doaj   +1 more source

A Mechanochromic Hydrogen‐Bonded Rotaxane [PDF]

Macromolecular Rapid Communications, 2020
AbstractTensile forces influence a variety of important biological processes and force sensors are required to study these processes in vivo. Current force sensors are often tailor‐made for a specific application, or activate at much higher forces than those observed at the cellular or tissue level. A versatile force sensor, with tunable mechanical and
Rafael Sandoval‐Torrientes, ThomasR. Carr, Guillaume De Bo   +2 more
openaire   +3 more sources

Hydrogen bonding penalty upon ligand binding.

PLoS ONE, 2011
Ligand binding involves breakage of hydrogen bonds with water molecules and formation of new hydrogen bonds between protein and ligand. In this work, the change of hydrogen bonding energy in the binding process, namely hydrogen bonding penalty, is ...
Hongtao Zhao, Danzhi Huang
doaj   +1 more source