Search for dissertations about: "host-guest chemistry"

Showing result 1 - 5 of 20 swedish dissertations containing the words host-guest chemistry.

2. 1. NMR Investigations of Host-Guest Complexes and Their Dynamic Properties

   Author : Zdenek Tosner; Jozef Kowalewski; Josef Stepanek; Klaus Muller; Stockholms universitet; []
   Keywords : NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; supramolecular chemistry; host-guest complexes; non-covalent interactions; nuclear magnetic resonance; molecular motion; C-13 relaxation; deuterium NMR; dipolar recoupling; Physical chemistry; Fysikalisk kemi;

   Abstract : This thesis discusses several different methods offered by solution and solid state nuclear magnetic resonance for investigation of host-guest complexes and their constituents. The presented methods were used especially (but not exclusively) to address rotational dynamics of the bound guest in different molecular systems. READ MORE

4. 2. Host-Guest Interactions for Structural Analysis of Organic Molecules : Development of new Tools for Stereochemical Characterization

   Author : Sandra Olsson; Adolf Gogoll; Kari Rissanen; Uppsala universitet; []
   Keywords : NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; metalloporphyrins; host-guest systems; bis-porphyrin tweezers; stiff stilbene macrocycles; organic synthesis; porphyrin binding studies; NMR; ECCD; Chemistry with specialization in Organic Chemistry; Kemi med inriktning mot organisk kemi;

   Abstract : The focus of this thesis is on the development of molecular tweezers as host-guest systems for stereochemical characterization of small organic molecules.There are two central problems to stereochemical characterization of small molecules. READ MORE

5. 3. Selectivity in Host-Guest Chemistry

   Author : Gunnar Westman; Chalmers University of Technology; []
   Keywords : ;

   Abstract : This thesis describes host-guest complexes with the use of a biphenyl crown ether or cyclodextrin as host. Complexes between the biphenyl crown ether and salts form phenylalanine esters were studied. READ MORE

6. 4. Improving Tröger's Base Chemistry : Developing the Chemistry of Tröger's base

   Author : Sami Dawaigher; Centrum för analys och syntes; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Tröger’s base; Host Guest Chemistry; Metalation; Computational Chemistry; Supramolecular Chemistry;

   Abstract : The Tröger’s base framework has been implemented in two different receptors. The first of these receptors, incorporating two 18-crown-6 moities, was used as a host in a binding study together with a sieries of bisammonium salts that yielded different binding constants that were then used as a benchmark to compare different computational methods (Molecular Mechanics (MM) and Density Functional Theory (DFT)) in predicting the correct results where the MM methods proved more effective. READ MORE

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

   Author : Weijie Hua; Yi LUO; Mauro Stener; KTH; []
   Keywords : NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; 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