Results 11 to 20 of about 6,398 (120)
Halogen Bonding in Nucleic Acid Complexes [PDF]
, 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 been gathered about X-bonds in protein-ligand complexes, as opposed to nucleic acid complexes. Here
arxiv +1 more source
Hierarchy in the halogen activation during surface-promoted Ullmann coupling [PDF]
ChemPhysChem 2019, 20, 2305, 2020 Within the collection of surface-supported reactions currently accessible for the production of extended molecular nanostructures under ultra-high vacuum, Ullmann coupling has been the most successful in the controlled formation of covalent single C-C bonds. Particularly advanced control of this synthetic tool has been obtained by means of hierarchical
arxiv +1 more source
(15-crown-5)BiI$_3$ as a Building Block for Halogen Bonded Supramolecular Aggregates [PDF]
arXiv, 2020 We present the synthesis and characterization of (15-crown-5)BiI$_3$ (1) and (15-crown-5)BiI$_3$*0.5TIE (2), a halogen bonded adduct with tetraiodoethylene (TIE), a typical halogen bond donor. Our results show that crown ether complexes of main group metal halides can be employed as halogen bond acceptors for the synthesis of new supramolecular ...
arxiv
Instantaneous Clear Sky Radiative Forcings of Halogenated Gases [PDF]
arXiv, 2023 The clear sky instantaneous radiative forcings of the 14 halogenated gases previously shown to have the largest contribution to global warming, were found. The calculation used the absorption cross sections for the halogenated gases which are assumed to be independent of temperature as well as over 1/3 million line strengths for the 5 naturally ...
arxiv
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.
Anna Olejniczak +2 more
openaire +3 more sources
The effects of halogen elements on the opening of an icosahedral B12 framework [PDF]
, 2017 The fully halogenated or hydrogenated B12X12 (X = H, F, Cl, Br and I) clusters are confirmed to be icosahedral. On the other hand, the bare B12 cluster is shown to have a planar structure. A previous study showed that a transformation from an icosahedron to a plane happens when 5 to 7 iodine atoms are substituted. Later, the transition was confirmed to
arxiv +1 more source
The Effect of Off-Center $σ$-Hole on the Atom-Centered Partial Charges in Halogenated Molecules [PDF]
arXiv, 2022 Partial atomic charges belong to key concepts of computational chemistry. In some cases, however, they fail in describing the electrostatics of molecules. One such example is the $\sigma$-hole, a region of positive electrostatic potential located on halogens and other atoms.
arxiv
Alkali and Halogen Chemistry in Volcanic Gases on Io [PDF]
, 2004 We use chemical equilibrium calculations to model the speciation of alkalis and halogens in volcanic gases emitted on Io. The calculations cover wide temperature (500-2000 K) and pressure (10^-6 to 10^+1 bars) ranges, which overlap the nominal conditions at Pele (T = 1760 K, P = 0.01 bars). About 230 compounds of 11 elements (O, S, Li, Na, K, Rb, Cs, F,
arxiv +1 more source
Turning non-magnetic two-dimensional molybdenum disulfide into room temperature magnets by the synergistic effect of strain engineering and charge injection [PDF]
arXiv, 2023 The development of two-dimensional (2D) room temperature magnets is of great significance to the practical application of spintronic devices. However, the number of synthesized intrinsic 2D magnets is limited and the performances of them are not satisfactory, e.g. typically with low Curie temperature and poor environmental stability.
arxiv
Shape Evolution of CdSe Nanoparticles controlled by Halogen Compounds [PDF]
Chem. Mater. 26 (2014) 1813, 2015 Halogen compounds are capable of playing an important role in the manipulation of nanoparticle shapes and properties. In a new approach, we examined the shape evolution of CdSe nanorods to hexagonal pyramids in a hot-injection synthesis under the influence of halogenated additives in the form of organic chlorine, bromine and iodine compounds. Supported
arxiv +1 more source