Site Selectivity of Halogen Oxygen Bonding in 5- and 6-Haloderivatives of Uracil [PDF]
Crystals, 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 of ...
Gustavo Portalone
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Restorative Dentistry: Dental composite depth of cure with halogen and blue light emitting diode technology [PDF]
, 2009 Objectives To test the hypothesis that a blue light emitting diode (LED) light curing unit (LCU) can produce an equal dental composite depth of cure to a halogen LCU adjusted to give an irradiance of 300 mWcm–2 and to characterise the LCU's light outputs.
Ashworth, Stephen +2 more
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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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Analysis of products from the pyrolysis of plastics recovered from the commercial scale recycling of waste electrical and electronic equipment [PDF]
, 2007 Three plastic fractions from a commercial waste electrical and electronic equipment (WEEE) processing plant were collected and investigated for the possibility of recycling them by batch pyrolysis. The first plastic was from equipment containing cathode
Hall, W.J., Williams, P.T.
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The Effect of the Position of the Pyridine Nitrogen Atom in the Tridentate NN'O Schiff Base Ligand on the Type of Coordination Polymer of the Copper(II) Complex: A Crystallographic Study [PDF]
شیمی کاربردی روزCoordination polymers (CPs) are synthesized using bridging organic ligands and metal ions, depending on the geometric coordination of the metal, the bridging ligands, and the donor atoms present in these ligands, various one-, two-, or three-dimensional ...
Kimia Forooghi +2 more
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Experimental and Theoretical Evidence for Nitrogen-Fluorine Halogen Bonding in Silver-Initiated Radical Fluorinations [PDF]
, 2019 We report experimental and computational evidence for nitrogen–fluorine halogen bonding in Ag(I)-initiated radical C–H fluorinations. Simple pyridines form [N–F–N]+ halogen bonds with Selectfluor to facilitate single-electron reduction by catalytic Ag ...
Baker, Sarah I +4 more
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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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Combining high-resolution scanning tunnelling microscopy and first-principles simulations to identify halogen bonding [PDF]
, 2020 Scanning tunnelling microscopy (STM) is commonly used to identify on-surface molecular self-assembled structures. However, its limited ability to reveal only the overall shape of molecules and their relative positions is not always enough to fully solve ...
Bonifazi, Davide +5 more
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Magnetochemistry, 2022 Complexes [Fe(X-salEen)2]BPh4·DMF, with X = Br (1), Cl (2), and F (3), were crystallised from N,N′-dimethylformamide with the aim of understanding the role of a high boiling point N,N′-dimethylformamide solvate in the spin crossover phenomenon.
Rafaela T. Marques +11 more
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Halogen⋯halogen contra C–H⋯halogen interactions
CrystEngComm, 2014 Pressure affects the competition between C–H⋯X hydrogen bonds and X⋯X halogen⋯halogen interactions. In bromomethane, CH3Br, pressure changes the molecular arrangement of the two solid-state phases of this compound: low-pressure phase α is dominated by halogen⋯halogen interactions, whereas above 1.5 GPa the β phase is governed by C–H⋯halogen bonds.
Marcin Podsiadło +2 more
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