Sökning: "Charge transfer state"

Visar resultat 41 - 45 av 141 avhandlingar innehållade orden Charge transfer state.

  1. 41. Theoretical studies of blue copper proteins

    Författare :Mats H M Olsson; Beräkningskemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; quantum chemistry; metal-thiolate bonds; axial ligation; electron transfer proteins; reduction potential; reorganisation energy; Cu II ; Cu I ; strain; Induced-rack theory; Entatic state theory; cytochrome c oxidase; CuA; nitrite reductase; azurin; Blue copper proteins; plastocyanin; B3LYP; CASPT2; Soil Science; agricultural hydrology; Lantbrukshydrologi; marklära;

    Sammanfattning : In this thesis, a critical investigation is presented about the role of mechanical strain for the electron-transfer properties of the blue copper proteins. It has been found that the structure of a realistic model complex of the oxidised blue-copper active site, optimised in vacuum with the B3LYP method, has the same trigonal cupric geometry as in the protein. LÄS MER

  3. 42. Surface-Induced Modification of Supported Late Transition Metal Complexes

    Författare :Olesia Snezhkova; Synkrotronljusfysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; N-heterocyclic carbene palladium complexes; X-ray photoelectron spectroscopy; electron charge transfer; iron phthalocyanine; catalysis; X-ray absorption spectroscopy;

    Sammanfattning : The work presented in this thesis addresses the investigation of the electronic, magnetic, and structural properties of late transition metal complexes supported on various surfaces. The research is aimed at studying the interaction between the molecules and the support, together with the intermolecular interaction. This knowledge is essential e.g. LÄS MER

  4. 43. Study of retention mechanisms in Hydrophilic Interaction Chromatography by Nuclear Magnetic Resonance Spectroscopy

    Författare :Adel Shamshir; Knut Irgum; Tobias Jonsson; Ngoc Phuoc Dinh; Torgny Fornstedt; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; HILIC; hydrophilic interaction chromatography; adsorption; STD-NMR; saturation transfer difference; retention mechanism; NMRD; solid state-NMR; Analytical Chemistry; analytisk kemi;

    Sammanfattning : This thesis deals with investigations of the retention mechanisms in hydrophilic interaction liquid chromatography (HILIC) using nuclear magnetic resonance spectroscopy. The aims are to understand how the different types of stationary phases can influence the retention of various solutes and the adsorption abilities of solvent on stationary phases. LÄS MER

  5. 44. Quantum Coherence for Light Harvesting

    Författare :David Palecek; Kemisk fysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Coherent two-dimensional spectroscopy; Quantum coherence; Light harvesting; Photosynthetic reaction center; Energy transfer;

    Sammanfattning : Almost all life on Earth depends on the products of photosynthesis — the biochemical process whereby solar energy is stored as chemical-rich compounds. The energy of captured photons is transferred through a network of pigment-protein complexes towards the reaction center. LÄS MER

  7. 45. Photophysics and Photochemistry of Iron Carbene Complexes

    Författare :Linnea Lindh; NanoLund: Centre for Nanoscience; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; tidsupplöst spektroskopi; täthetsfunktionalteori; järn-komplex; färgämne; grätzelsolcell; fotokatalys; elektronöverföringsreaktion; time-resolved spectroscopy; density functional theory; earth-abundant; iron-complex; photosensitiser; dye-sensitised solar cell; photocatalysis; electron transfer;

    Sammanfattning : Nature captures sunlight via light-absorbing molecules.Similarly, photosensitisers are used in applications of solar cells and artificial photosynthesis to absorb sunlight, and transfer the excited electron. LÄS MER