Results 31 to 40 of about 54,172 (278)
Molecules, 2022 The halogen bond has been widely used as an important supramolecular tool in various research areas. However, there are relatively few studies on halogen bonding related to molecular chirality. 3-(2-Halophenyl)quinazoline-4-thione derivatives have stable
Ryosuke Matsui +7 more
doaj +1 more source
Hierarchical Self-Assembly of Halogen-Bonded Block Copolymer Complexes into Upright Cylindrical Domains [PDF]
, 2017 Self-assembly of block copolymers into well-defined, ordered arrangements of chemically distinct domains is a reliable strategy for preparing tailored nanostructures.
Cavallo G. +10 more
core +1 more source
Competition between chalcogen bond and halogen bond interactions in YOX4:NH3 (Y = S, Se; X = F, Cl, Br) complexes: An ab initio investigation [PDF]
, 2016 Using ab initio calculations, the geometries, interaction energies and bonding properties of chalcogen bond and halogen bond interactions between YOX4 (Y = S, Se; X = F, Cl, Br) and NH3 molecules are studied. These binary complexes are formed through the
Asadollahi, S. +2 more
core +1 more source
Molecules, 2022 Haspin, an atypical serine/threonine protein kinase, is a potential target for cancer therapy. 5-iodotubercidin (5-iTU), an adenosine derivative, has been identified as a potent Haspin inhibitor in vitro.
Yujing Zhou, Ming Wah Wong
doaj +1 more source
Competition between hydrogen and halogen bonding in halogenated 1-methyluracil: water systems [PDF]
, 2016 The competition between hydrogen- and halogen-bonding interactions in complexes of 5-halogenated 1-methyluracil (XmU; X = F, Cl, Br, I or At) with one or two water molecules in the binding region between C5-X and C4=O4 is investigated with M06-2X/6-31+G ...
Hogan, Simon William Leslie +1 more
core +1 more source
Halogen Bonding in (Z)-2-Iodocinnamaldehyde
Molecules, 2013 Based on the bulkiness of the iodine atom, a non-planar conformation was expected for the title compound. Instead, its molecular structure is planar, as experimentally determined using single crystal X-ray diffraction, and confirmed theoretically by DFT ...
Miriam Rossi +3 more
doaj +1 more source
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
Halogen Bonds in Clathrate Cages: A Real Space Perspective [PDF]
, 2018 We thank the Spanish MINECO, grant CTQ2015-65790-P, and theFICYT ...
Costales Castro, María Aurora +4 more
core +2 more sources
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
doaj +1 more source
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
doaj +1 more source