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Showing 1 to 13 of 13 for “"Halogen Bonding"”.
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Fundamental computational investigations of halogen and chalcogen bonding : electronic structure and reactivity.
… including, but not limited to, hydrogen, halogen, and chalcogen bonding. These σ-holes are formed by a redistribution of electron density on an atom toward a bonded atom and form a noncovalent bond with a nucleophilic Lewis base. Despite how long σ-hole interactions have been known, their …
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Investigation of Chitosan-based Adsorbents for Water Treatment, Pollutant Detection, and Adsorption Mechanism
… comparative uptake study of fluorescein and its halogenated alternative, Rose Bengal was explored to analyze the role of halogen bonding in the adsorption process. Accordingly, a novel grafted chitosan adsorbent was synthesized and characterized to confirm grafting of aromatic rings onto a …
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Manipulating Conjugation in electronic polymers and graphitic materials: chemosensors, precursor routes, and self-assembly
… bottom-up manner. In Chapter 5, we introduce halogen bonding in SWCNT-based chemiresistive gas sensors. These chemiresistors were prepared by ball milling of SWCNTs and selectors, compression into a pellet, and mechanical abrasion between gold electrodes on paper. We demonstrate that sensing …
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Supramolecular Chemistry at the Polymer-Oil Interface
… binding site, binding in cucurbiturils via halogen bonding was investigated as common halogen bonding species show good solubility in non-polar solvents. Initially co-crystals of 2,5-diiodo-1,3,4,6-tetrafluorobenzene with tertiary amides were studied. With N,N-dimethylformamide, a 1:2 …
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Sintesi di molecole organiche enantiomericamente arricchite con l'uso della catalisi organica
… Finally, supramolecular interactions by halogen bonding are described. These occurs between enatiomerically enriched aldols benzothiophene derivatives, synthesized by means of organocatalysed reactions. These kinds of interactions are strongly important in supramolecular chemistry but …
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Halogen···Halogen interactions in host - guest systems
For a few decades now, halogen bonds which are non-covalent interactions, have gained a lot of interest in the science community due to their applications in diverse research areas. Halogen bonding (XB) is an interaction that occurs between electron deficient halogen compounds and electron donors. …
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Investigations in molecular structure: from scattering to molecular complexes of brominated compounds
… and indicated the appearance of interesting halogen interactions occurring. Structural studies have also been carried out using the bromanilic acid molecule as a focus to generate a number of co-crystal complexes to examine their halogen bonding capability and to determine any structural …
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Solving the crystallographic structure of the Cl2J construct and occupancy titration trials to quantitatively determine isomer ratio
Halogen atoms are commonly found in biological organic compounds such as plastic polymers, flame retardants, coolant fluids, insecticides and herbicides. Halogens are known to mediate neurotransmitters in the brain and are required for the production of many hormones (i.e. thyroxine). Because …
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Cocrystallisation involving the thioamide, amide and imide functional groups
… groups and the intermolecular hydrogen bonding interactions present in the cocrystal structures are examined. Chapter Three describes the crystal landscape of a short series of secondary aromatic amides and their analogous thioamides. Building on the results obtained in Chapter Two, a …
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Self-Assembly in Physisorbed Monolayers via Directional Intermolecular Interactions
… of two non-covalent directional interactions (halogen and hydrogen bonds) to influence the structure of self-assembled physisorbed organic monolayers is considered. These layers exhibit only weak, non-directional interactions with the substrate, and so their structure is driven by the …
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Novel small molecules for modulation of bacterial signaling pathways
… and other heterocyclic systems derived from halogenated furanones (Fimbrolides). Indole and glucosamine-based amides and oxo-amides were synthesized as non-native AHL mimics by applying EDC, DCC or EDC/HOBt mediated amide coupling methods. On docking study, the indole-based AHL mimics showed …
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Altering the Crystal Packing of Boronsubphthalocyanine Derivatives through Molecular Engineering
There are currently three known crystal packing motifs of boronsubphthalocyanine derivatives. Each motif is associated with a particular class of BsubPc derivatives, and none are ideal for organic electronic applications according to the criteria we defined for evaluation: having a continuous …
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Leveraging Bio-Inspired Molecules for Cancer Theranostics
… overall intramolecular order through H- and halogen bonding, in addition to intermolecular organization of the self-assembled peptides due to steric and electrostatic effects introduced by the halogenated tyrosine.</p> <p>In addition to the influence of iodination on peptide enzyme response, …