Results 61 to 70 of about 85,379 (320)
Crystals, 2017 Seventeen new halogen-bonded co-crystals characterized by single crystal X-ray analysis are presented from 8 × 4 combinations using methyl-substituted pyridine N-oxides and 1,ω-diiodoperfluoroalkanes. The N−O group in six of 17 co-crystals is monodentate
Rakesh Puttreddy +3 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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A–X⋯σ Interactions—Halogen Bonds with σ-Electrons as the Lewis Base Centre
Molecules, 2021 CCSD(T)/aug-cc-pVTZ//ωB97XD/aug-cc-pVTZ calculations were performed for halogen-bonded complexes. Here, the molecular hydrogen, cyclopropane, cyclobutane and cyclopentane act as Lewis base units that interact through the electrons of the H–H or C–C σ ...
Sławomir J. Grabowski
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Site selectivity of halogen oxygen bonding in 5- and 6-haloderivatives of uracil [PDF]
, 2019 Seven 5-and 6-halogenated derivatives of uracil or 1-methyluracil (halogen = Cl, Br, I) were studied by single crystal X-ray diffraction. In contrast with pure 5-halouracils, where the presence of N-H…O and C-H…O hydrogen bonds prevents the formation ...
Portalone, Gustavo
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Advanced Engineering Materials, EarlyView.ZnS‐MXene‐TiO2 nanocomposite heterojunction for photocatalytic decomposition of this methylene blue dye (MB) greatly improves light absorption, charge separation, and active site area. Two‐dimensional MXene forms nanocomposites by easily combining them with 0D (quantum dots), 1D (tube and wire), 2D (plane and sheet), and 3D (particle and lamellar ...
Latiful Kabir +7 more
wiley +1 more source
Short X···N Halogen Bonds With Hexamethylenetetraamine as the Acceptor
Frontiers in Chemistry, 2021 Hexamethylenetetramine (HMTA) and N-haloimides form two types of short (imide)X···N and X–X···N (X = Br, I) halogen bonds. Nucleophilic substitution or ligand-exchange reaction on the peripheral X of X–X···N with the chloride of N-chlorosuccinimide lead ...
Goulielmina Anyfanti +9 more
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Isomerization as a Key Path to Molecular Products in the Gas-Phase Decomposition of Halons [PDF]
, 2010 The decomposition of halons remains controversial concerning the branching between radical and molecular products. The latter channel, where it has been found, is presumed to occur via a constrained symmetric multicenter transition state.
George, Lisa +2 more
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Numerical Exploration of Thermal Shock Resistance in MgO–C Refractories
Advanced Engineering Materials, EarlyView.A mesostructure‐resolved numerical framework is developed to evaluate the thermal shock resistance of MgO–C refractories. By modeling interface debonding under rapid temperature changes and introducing a modified thermal shock parameter that accounts for mesocracks, the study shows how graphite content and aggregate size influence thermal shock ...
Jishnu Vinayak Gopi +3 more
wiley +1 more source
Halogen bonding as a supramolecular dynamics catalyst
Nature Communications, 2019 The halogen bond is well known for its ability to assemble supramolecules. Here, using NMR experiments, the authors reveal the role of these bonds in dynamic processes, finding that the halogen bond directly catalyzes dynamical rotation in solid ...
Patrick M. J. Szell +2 more
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Hydrogen Bond versus Halogen Bond in HXOn (X = F, Cl, Br, and I) Complexes with Lewis Bases
Inorganics, 2019 We have theoretically studied the formation of hydrogen-bonded (HB) and halogen-bonded (XB) complexes of halogen oxoacids (HXOn) with Lewis bases (NH3 and Cl−) at the CCSD(T)/CBS//RIMP2/aug-cc-pVTZ level of theory.
David Quiñonero, Antonio Frontera
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