Results 21 to 30 of about 26,403 (237)
Intramolecular halogen–halogen bonds?
Physical Chemistry Chemical Physics, 2013 By analysing the properties of the electron density in the structurally simple perhalogenated ethanes, X3C-CY3 (X, Y = F, Cl), a previously overlooked non-covalent attraction between halogens attached to opposite carbon atoms is found. Quantum chemical calculations extrapolated towards the full solution of the Schrödinger equation reveal the complex ...
Johansson, Mikael P., Swart, Marcel
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Chinese Journal of Magnetic Resonance, 2017 Halogen bond, as hydrogen bond, is a non-covalent bond. Dynamic nuclear polarization (DNP) technique has been used previously to study hydrogen bonds-mediated intermolecular interactions. However, no study has been carried out so far to study the halogen
GAO Shan +8 more
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Molecules, 2022 This study expands and combines concepts from two of our earlier studies. One study reported the complementary halogen bonding and π-π charge transfer complexation observed between isomeric electron rich 4-N,N-dimethylaminophenylethynylpyridines and the ...
Erin D. Speetzen +3 more
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Halogen bonding and chalcogen bonding mediated sensing
Chemical Science, 2022 Sigma–hole mediated detection of anions is rapidly emerging as a new paradigm in supramolecular sensor chemistry. Herein, we provide an overview of this field including halogen bonding and chalcogen bonding optical, electrochemical and other sensors.
Hein, R, Beer, PD
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Frontiers in Chemistry, 2020 The cooperativity between hydrogen and halogen bonds plays an important role in rational drug design. However, mimicking the dynamic cooperation between these bonds is a challenging issue, which has impeded the development of the halogen bond force field.
Tian-ge Dong +4 more
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Halogen Bonding: An Odd Chemistry? [PDF]
The Chemical Record, 2021 AbstractHalogen bonding is a flourishing field of research, but has for long been little recognized. The same goes for its scientific hero, Odd Hassel, who laid the foundations for all current developments. The crystallographic observation of halogen−oxygen interatomic distances shorter than the sum of the van der Waals radii of the involved atoms, and
Turunen, Lotta +2 more
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Turkish Journal of Orthodontics, 2005 The aim of our study was to compare shear bond strengths of orthodontic brackets bonded with chemically cured, halogen light cured and LED cured adhesive systems. 45 extracted human premolar teeth were randomly divided into 3 groups.
Hakan Türkkahraman +1 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
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Acta Crystallographica Section E: Crystallographic Communications, 2015 The crystallization of a 1:1 molar solution of 1,2-diiodo-3,4,5,6-tetrafluorobenzene (o-DITFB) and tetrabutylammonium bromide (n-Bu4NBr) from dichloromethane yielded pure white crystals of a halogen-bonded compound, C16H36N+·Br−·C6F4I2·0.5CH2Cl2 or [(n ...
Jasmine Viger-Gravel +2 more
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Molecules, 2020 An extensive series of 128 halogen-bonded complexes formed by trimethylphosphine oxide and various F-, Cl-, Br-, I- and At-containing molecules, ranging in energy from 0 to 124 kJ/mol, is studied by DFT calculations in vacuum.
Alexei S. Ostras’ +3 more
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