Results 41 to 50 of about 19,455 (274)
Halogen and Hydrogen Bonding in Halogenabenzene/NH3 Complexes Compared Using Next-Generation QTAIM
Molecules, 2019 Next-generation quantum theory of atoms in molecules (QTAIM) was used to investigate the competition between hydrogen bonding and halogen bonding for the recently proposed (Y = Br, I, At)/halogenabenzene/NH3 complex. Differences between using the SR-ZORA
Shuman Li +5 more
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Preorganization: A Powerful Tool in Intermolecular Halogen Bonding in Solution
ChemistryOpen, 2020 Preorganization is a powerful tool in supramolecular chemistry which has been utilized successfully in intra‐ and intermolecular halogen bonding. In previous work, we had developed a bidentate bis(iodobenzimidazolium)‐based halogen bond donor which ...
Martin H. H. Voelkel +2 more
doaj +1 more source
Characterization of competing halogen and hydrogen bonding [PDF]
, 2021 Access to thesis permanently restricted to Ball State community only.Halogen bonding (XB) is often described as an intermolecular attraction between an electron rich species and a covalently bonded halogen atom that has an area of positive potential ...
Grounds, Olivia A.
core
Engineered Binding Microenvironments in Halogen Bonding Polymers for Enhanced Anion Sensing [PDF]
, 2022 Mimicking nature’s biopolymeric protein architectures by designing hosts with binding cavities shielded from the bulk solvent environment is a promising approach to achieving anion recognition in competitive protic media. Accomplishing this, however, can
Paul D., Beer +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
openaire +4 more sources
In Silico Design of Halogen-Bonding-Based Organocatalyst for Diels–Alder Reaction, Claisen Rearrangement, and Cope-Type Hydroamination [PDF]
, 2016 Using DFT calculations, we investigated the use of halogen bonding (XB) interactions to accelerate and control organic reactions, namely Diels–Alder reaction, Claisen rearrangement, and Cope-type hydroamination.
Choon Wee Kee (1672366) +1 more
core +3 more sources
ChemistryOpen, 2019 The halogen bond has previously been explored as a versatile tool in crystal engineering and anion coordination chemistry, with mechanochemical synthetic techniques having been shown to provide convenient routes towards cocrystals. In an effort to expand
Vincent M. Morin +4 more
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Looking Back, Looking Forward at Halogen Bonding in Drug Discovery
Molecules, 2017 Halogen bonding has emerged at the forefront of advances in improving ligand: receptor interactions. In particular the newfound ability of this extant non-covalent-bonding phenomena has revolutionized computational approaches to drug discovery while ...
Lois Mendez +3 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(I).
Sarah, Baker +4 more
core +1 more source
Supramolecular Halogen Bonds in Asymmetric Catalysis
Frontiers in Chemistry, 2020 Halogen bonding has received a significant increase in attention in the past 20 years. An important part of this interest has centered on catalytic applications of halogen bonding.
Mikk Kaasik, Tõnis Kanger
doaj +1 more source