Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 15 of 15 for “"halogen bond"”.
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Rhodium-Catalyzed Asymmetric Ring Opening of Oxabicyclic Alkenes and Palladium-Catalyzed Carbon-Halogen Bond Forming Reactions
… addition reactions to unsaturated carbonâ carbon bonds represent a powerful class of transformations in organic chemistry, since a great deal of molecular complexity can be generated from simple starting materials. Highly regio- and stereoselective processes have been made possible through the use …
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Methodology for the syntheses of pharmaceutically significant functional groups
… of azaheterocycles via a nitrogen-fluorine halogen bond, the synthesis of sulfoxides and sulfenamides from highly reactive and unstable chloramine in continuous-flow, and partial translation of the process route to enantiopure (S)-naproxen from batch chemistry to continuous-flow.
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A COMPUTATIONAL STUDY OF BONDING INTERACTIONS AND SURFACE CHEMISTRY ON METAL SUBSTRATES
… a comprehensive exploration of on-surface bonding interactions and surface chemistry is crucial. In this thesis, Density Functional Theory (DFT) calculations are used to help scientists investigate and explore the underlying principles and driving forces of bonding interactions and chemical …
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Photolysis of (Halomethyl)naphthalenes: An Investigation of the Heterolysis and Homolysis of Carbon-Halogen Bonds in (Arylmethyl)halides
… is presented for three modes of heterolytic bond cleavage. The first originates from an excited singlet state, and may be direct or may involve an exciplex formed during sensitization. The second mode is through an exciplex of the (halomethyl)naphthalene and a triplet sensitizer. The third …
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Formal Insertion Reactions Of Stannylenes And Germylenes Into Phosphorus-Halogen Bonds: A Structural And Mechanistic Investigation
… (M = Ge or Sn) into the P-halogen bond of halophosphines have been known for some time. However, very few examples have been reported and no evidence has been presented regarding the mechanism by which these reactions take place. Comparatively, insertion of the same or …
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Reactions of Halogenated Ethylenes on the α-Cr₂O₃ (101̅2) Surface
The thermally induced reaction of halogenated ethylenes on the α-Cr₂O₃ (101̅2) single crystal surface results in the formation of gas phase hydrocarbons including acetylene, ethylene, butadiene, and dihydrogen, and deposition of surface chlorine adatoms. No surface carbon or combustion products are …
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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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Development of computational tools to model molecular interactions for medicinal chemistry
… an important interaction for drug design, the halogen bond (X-bond). We consider how decades of work has come closer to properly modeling the X-bond, yet there remain many unexplored areas. Two areas are addressed in this dissertation: the structure-energy relationship of 1) a Br…S- X-bond in a …
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Carbon dots as sustainable photocatalysts for organic synthesis
… for net-oxidative and redox-neutral C-C bond formation. A variety of aromatic substrates and biological motifs were successfully trifluoromethylated under aerobic conditions. To utilise the full potential of this reaction, the net-oxidative trifluoromethylation was coupled to …
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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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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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Palladium-mediated C–H Functionalization of Aliphatic Amines via High Valent Palladium(IV) Intermediates
… transformations that directly convert C–H bonds to C–C or C–heteroatom bonds, often enabling the synthesis of functionalized products that are not readily accessible using classical synthetic methods. The work disclosed in this thesis concerns the Pd-mediated C–H functionalization of …
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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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Accurate ionic bond energy measurements with TCID mass spectrometry and imaging PEPICO spectroscopy
… here. In the first, metal-cyclopentadienyl bond dissociation energies (BDEs) were measured for seven metallocene ions (Cp<sub>2</sub>M<sup>+</sup>, Cp = η<sup>5</sup>-cyclopentadienyl = c-C<sub>5</sub>H<sub>5</sub>, M = Ti, V, Cr, Mn, Fe, Co, Ni) using threshold collision-induced …