Search for dissertations about: "host-guest chemistry"

Showing result 6 - 10 of 25 swedish dissertations containing the words host-guest chemistry.

  2. 6. Bicyclo[3.3.1]nonanes as Scaffolds in Supramolecular Chemistry : From Host-Guest Systems to Hydrogen-Bonded Aggregates

    Author : Anna Lidskog; Centrum för analys och syntes; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; supramolecular chemistry; host-guest system; non-covalent interactions; hydrogen bonding; aromatic interactions; electrostatic interactions; synthetic receptors; self-assembly; nanotubes;

    Abstract : This thesis describes the use of bicyclo[3.3.1]nonane and its heteroanalogue 1,5- diazabicyclo[3.3. READ MORE

  4. 7. Structure and spectroscopy of bio- and nano-materials from first-principles simulations

    Author : Weijie Hua; Yi LUO; Mauro Stener; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; soft x-ray spectroscopy; bio- and nano-materials; first-principles simulation; host-guest interaction; generalized energy-based fragmentation; Quantum chemistry; Kvantkemi; Spectroscopy; Spektroskopi; SRA - Molecular Bioscience; SRA - Molekylär biovetenskap;

    Abstract : This thesis is devoted to first-principles simulations of bio- and nano-materials,focusing on various soft x-ray spectra, ground-state energies and structures of isolated largemolecules, bulk materials, and small molecules in ambient solutions. K-edge near-edge x-ray absorption fine structure (NEXAFS) spectra, x-ray emission spectra, andresonant inelastic x-ray scattering spectra of DNA duplexes have been studied by means oftheoretical calculations at the density functional theory level. READ MORE

  5. 8. Quantum Chemical Modeling of Phosphoesterase Mimics and Chemistry in Confined Spaces

    Author : Henrik Daver; Fahmi Himo; Gregori Ujaque; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; density functional theory; catalysis; phosphoester hydrolysis; transesterification; supramolecular chemistry; inclusion complex; host-guest chemistry; cycloaddition; organisk kemi; Organic Chemistry;

    Abstract : In this thesis, density functional theory is employed in the study of two kinds of systems that can be considered to be biomimetic in their own ways. First, three binuclear metal complexes, synthesized by the group of Prof. Ebbe Nordlander, have been investigated. READ MORE

  6. 9. Synthesis and Studies of NADH Models: Stereoselective Reductions and Host-Guest Properties

    Author : Ulrik Gran; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; synthesis; NADH model; host-guest complex; stereoselective reductions; macrocyclic; reducing agent;

    Abstract : The aim of the project has been to synthesise macrocyclic NADH models and to study them as reducing agents and hosts. Three types of macrocyclic NADH models have been synthesised. They consist of the same subunits; a chiral unit, a nicotinamide unit and an aromatic spacer. READ MORE

  7. 10. Chloromethane Complexation by Cryptophanes : Host-Guest Chemistry Investigated by NMR and Quantum Chemical Calculations

    Author : Zoltan Takacs; Jozef Kowalewski; Mikael Akke; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Host–guest complexes; inclusion phenomenon; cryptophanes; NMR; kinetics; activation energy; dipolar interaction; exchange; quantum chemical optimization; calculated chemical shifts; NOESY; cavity size; fysikalisk kemi; Physical Chemistry;

    Abstract : Host–guest complexes are widely investigated because of their importance in many industrial applications. The investigation of their physico–chemical properties helps understanding the inclusion phenomenon. The hosts investigated in this work are cryptophane molecules possessing a hydrophobic cavity. READ MORE