Sökning: "inclusion host"

Visar resultat 1 - 5 av 38 avhandlingar innehållade orden inclusion host.

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

    Författare :Zdenek Tosner; Jozef Kowalewski; Josef Stepanek; Klaus Muller; Stockholms universitet; []
    Nyckelord :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;

    Sammanfattning : 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. LÄS MER

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

    Författare :Zoltan Takacs; Jozef Kowalewski; Mikael Akke; Stockholms universitet; []
    Nyckelord :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;

    Sammanfattning : 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. LÄS MER

  3. 3. NMR Studies of Inclusion Compounds

    Författare :Sahar Nikkhou Aski; Jozef Kowalewski; Pierre Mutzenhardt; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NMR; 13C spin relaxation; PFGNMR; Kinetics; Correlation time; Physical chemistry; Fysikalisk kemi; Physical Chemistry; fysikalisk kemi;

    Sammanfattning : This thesis presents the application of some of the NMR methods in studying host-guest complexes, mainly in solution. The general focus of the work is on investigating the reorientational dynamics of some small molecules that are bound inside cavities of larger moieties. LÄS MER

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

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

    Sammanfattning : 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. LÄS MER

  5. 5. Molecular recognition in the solid state : crystal structure studies of selected inclusion compounds of host molecules with roof-shaped skeleton

    Författare :Olga Helmle; Janusz Lipkowski; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Chemistry; Kemi; strukturkemi; Structural Chemistry;

    Sammanfattning : This survey presents the results of single-crystal X-ray diffraction investigations of nine selected organic heteromolecular complexes in terms of the molecular recognition concept. The host molecules of the studied inclusion compounds have the 9,10-dihydro-9,10-ethanoanthracene moiety in common, to which various sensor groups possessing both proton donor and acceptor abilities are attached. LÄS MER