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Adsorption of diatomic halogen molecules on graphene: A van der Waals density functional study [PDF]
, 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
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Halogen Bonding in Crystal Engineering [PDF]
Acta Crystallographica Section A Foundations of Crystallography, 2005 The term halogen bonding encompasses any non-covalent interaction involving halogens as electrophilic species. High strength and directionality are the remarkable features of halogen bonding that fully justify its use as a primary intermolecular interaction to dictate molecular self-assembly processes.
METRANGOLO, PIERANGELO +3 more
openaire +8 more sources
Crystals, 2021 The Cambridge Structural Database was surveyed for crystals featuring I⋯Br secondary-bonding in their supramolecular assemblies occurring independently of other obvious supramolecular synthons and devoid of other halogen bonding interactions.
Edward R. T. Tiekink
doaj +1 more source
The thiocyanate anion as a polydentate halogen bond acceptor [PDF]
, 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
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Halogen Bonds Fabricate 2D Molecular Self-Assembled Nanostructures by Scanning Tunneling Microscopy
Crystals, 2020 Halogen bonds are currently new noncovalent interactions due to their moderate strength and high directionality, which are widely investigated in crystal engineering.
Yi Wang, Xinrui Miao, Wenli Deng
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Molecules, 2021 We have developed a photochemical ATRA/ATRC reaction that is mediated by halogen bonding interactions. This reaction is caused by the reaction of malonic acid ester derivatives containing bromine or iodine with unsaturated compounds such as alkenes and ...
Kazuki Matsuo +3 more
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Halogen Bonding in Nucleic Acid Complexes
, 2017 Halogen bonding (X-bonding) has attracted notable attention among noncovalent interactions. This highly directional attraction between a halogen atom and an electron donor has been exploited in knowledge-based drug design. A great deal of information has
Kolář, Michal H., Tabarrini, Oriana
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The mutual influence of Y⋯N and H⋯H interactions in XHY⋯NCH⋯HM complexes (X = F, Cl, Br; Y = S, Se; M = Li, Na, BeH, MgH): Tuning of the chalcogen bond by dihydrogen bond interaction [PDF]
, 2016 The equilibrium structures, interaction energies, and bonding properties of ternary XHY⋯NCH⋯HM complexes are studied by ab initio calculations, where X = F, Cl, Br, Y = S, Se, and M = Li, Na, BeH, MgH.
Asadollahi, S. +2 more
core +1 more source
Transmembrane Halogen-Bonding Cascades
Journal of the American Chemical Society, 2013 Halogen bonds have recently been introduced as ideal to transport anions across lipid bilayer membranes. However, activities obtained with small transporters were not impressive, and cyclic arrays of strong halogen-bond donors above a calix[4]arene scaffold gave even weaker activities. Here, we report that their linear alignment for anion hopping along
Vargas Jentzsch Andreas, Matile Stefan
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Halogen-Bonding-Driven Self-Assembly of Solvates of Tetrabromoterephthalic Acid
Crystals, 2021 Halogen bonding is one of the most interesting noncovalent attractions capable of self-assembly and recognition processes in both solution and solid phase.
Nucharee Chongboriboon +5 more
doaj +1 more source