Sökning: "ion-pair formation"

Visar resultat 1 - 5 av 20 avhandlingar innehållade orden ion-pair formation.

  1. 1. Enols and Allylic Alcohols as Building Blocks in Synthetic Organic Chemistry : Experimental and Theoretical Studies

    Författare :Alba Carretero Cerdán; Belén Martín‐Matute; Shu-Li You; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Base catalysis; Ion-pair; Isomerization; MOFs; Hypervalent Iodine III ; DFT; Organic Chemistry; organisk kemi;

    Sammanfattning : The present thesis describes computational and experimental studies used to drive the reactivity of allylic and enol substrates towards new transformations. These synthetic methods give access to a number of organic molecules that may serve as important moieties in synthetic organic chemistry. LÄS MER

  3. 2. Electron Recombination with Small Molecular Ions

    Författare :Johanna Brinne Roos; Hans Ågren; Åsa Larson; Hans Karlsson; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; dissociative recombination; ion-pair formation; resonant states; wave packet; molecular dynamics; electron scattering; Theoretical chemistry; Teoretisk kemi;

    Sammanfattning : In this thesis I have theoretically studied electron recombination processes with small molecular ions. In these kind of processes resonant states are involved. To calculate the potential energy for these states as a function of internuclear distance, structure calculations and scattering calculations have to be performed. LÄS MER

  4. 3. Reaction dynamics on highly excited states

    Författare :Johanna Brinne Roos; Åsa Larson; Ioan F. Schneider; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; ab initio calculations; dissociative recombination; resonant ion-pair formation; mutual neutralization; molecular electronic states; molecule-electron collisions; quantum chemistry; molecular dynamics; Chemical physics; Kemisk fysik; Molecular physics; Molekylfysik; kemisk fysik; Chemical Physics;

    Sammanfattning : In this thesis I have performed theoretical studies on the reaction dynamics in few-atom molecules. In particular, I have looked at reaction processes in which highly excited resonant states are involved. LÄS MER

  5. 4. Isotopes as Mechanism Spies : Nucleophilic Bimolecular Substitution and Monoamine Oxidase B Catalysed Amine Oxidation Probed with Heavy Atom Kinetic Isotope Effects

    Författare :Susanna MacMillar; Olle Matsson; Anita Hussénius; Daniel M. Quinn; Uppsala universitet; []
    Nyckelord :Organic chemistry; nucleophilic bimolecular substitution SN2; kinetic isotope effects; precision conductometry; monoamine oxidase B MAO B; reaction mechanism; carbon 11C 14C kinetic isotope effect; ion pairing triple-ion formation; para-substituted benzyl chlorides; tetrabytylammonium cyanide; Organisk kemi;

    Sammanfattning : This thesis concerns the study of reaction mechanisms by means of kinetic isotope effects (KIEs). Studies of the nucleophilic bimolecular substitution (SN2) reaction had the dual purpose of improving our fundamental understanding of molecular reactivity and assessing the ability of kinetic isotope effects to serve as mechanistic tools. LÄS MER

  7. 5. Electron impact dissociation of molecular ions at CRYRING

    Författare :Ahmed Al-Khalili; Ronald A Phaneuf; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physics; fysik;

    Sammanfattning : In this thesis, the electron impact dissociation of molecular ions has been studied using the ion storage ring CRYRING at Manne Siegbahn Laboratory in Stockholm, Sweden. The electron impact dissociation of molecular ions occurs via many processes, which lead to different charge states of the product fragments. LÄS MER