Results 31 to 40 of about 1,415,920 (286)

Halogen bonding stabilizes a cis-azobenzene derivative in the solid state: A crystallographic study [PDF]

open access: yes, 2017
Crystals of trans- and cis-isomers of a fluorinated azobenzene derivative have been prepared and characterized by single-crystal X-ray diffraction. The presence of F atoms on the aromatic core of the azobenzene increases the lifetime of the metastable ...
Fernandez-Palacio F.   +6 more
core   +1 more source

The thiocyanate anion as a polydentate halogen bond acceptor [PDF]

open access: yes, 2010
International audienceCo-crystallisation of the Et4N+ or n-Bu4N+ salts of the thiocyanate anion with o-, m- and p-diodoperfluorobenzene or the sym-trifluorotriiodobenzene allowed for the isolation of six different salts which were structurally ...
Cauliez, Pascal   +4 more
core   +4 more sources

Halogen Bonding in Haspin-Halogenated Tubercidin Complexes: Molecular Dynamics and Quantum Chemical Calculations

open access: yesMolecules, 2022
Haspin, an atypical serine/threonine protein kinase, is a potential target for cancer therapy. 5-iodotubercidin (5-iTU), an adenosine derivative, has been identified as a potent Haspin inhibitor in vitro.
Yujing Zhou, Ming Wah Wong
doaj   +1 more source

The Halogen Bond in the Design of Functional Supramolecular Materials: Recent Advances [PDF]

open access: yes, 2013
Halogen bonding is an emerging noncovalent interaction for constructing supramolecular assemblies. Though similar to the more familiar hydrogen bonding, four primary differences between these two interactions make halogen bonding a unique tool for ...
A. Priimagi   +3 more
core   +1 more source

Halogen Bonding in (Z)-2-Iodocinnamaldehyde

open access: yesMolecules, 2013
Based on the bulkiness of the iodine atom, a non-planar conformation was expected for the title compound. Instead, its molecular structure is planar, as experimentally determined using single crystal X-ray diffraction, and confirmed theoretically by DFT ...
Miriam Rossi   +3 more
doaj   +1 more source

Activation of a Metal‐Halogen Bond by Halogen Bonding†

open access: yesAngewandte Chemie, 2020
In recent years, the non‐covalent interaction of halogen bonding (XB) has found increasing application in organocatalysis. However, reports of the activation of metal‐ligand bonds by XB have so far been limited to a few reactions with elemental iodine or
J. Wolf   +7 more
semanticscholar   +1 more source

Halogen and Hydrogen Bonding in Halogenabenzene/NH3 Complexes Compared Using Next-Generation QTAIM

open access: yesMolecules, 2019
Next-generation quantum theory of atoms in molecules (QTAIM) was used to investigate the competition between hydrogen bonding and halogen bonding for the recently proposed (Y = Br, I, At)/halogenabenzene/NH3 complex. Differences between using the SR-ZORA
Shuman Li   +5 more
doaj   +1 more source

Preorganization: A Powerful Tool in Intermolecular Halogen Bonding in Solution

open access: yesChemistryOpen, 2020
Preorganization is a powerful tool in supramolecular chemistry which has been utilized successfully in intra‐ and intermolecular halogen bonding. In previous work, we had developed a bidentate bis(iodobenzimidazolium)‐based halogen bond donor which ...
Martin H. H. Voelkel   +2 more
doaj   +1 more source

Supramolecular Halogen Bonds in Asymmetric Catalysis

open access: yesFrontiers in Chemistry, 2020
Halogen bonding has received a significant increase in attention in the past 20 years. An important part of this interest has centered on catalytic applications of halogen bonding.
Mikk Kaasik, Tõnis Kanger
doaj   +1 more source

Adsorption of diatomic halogen molecules on graphene: A van der Waals density functional study [PDF]

open access: yes, 2010
The adsorption of fluorine, chlorine, bromine, and iodine diatomic molecules on graphene has been investigated using density functional theory with taking into account nonlocal correlation effects by means of vdW-DF approach. It is shown that the van der
Katsnelson, M. I.   +3 more
core   +2 more sources

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