Sökning: "pi x"

Visar resultat 1 - 5 av 48 avhandlingar innehållade orden pi x.

  1. 1. Nuclear Dynamics in X-ray Absorption and Raman Scattering

    Författare :Ivaylo Minkov; Faris Gelmukhanov; Knut Borve; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; x-ray scattering; theory; simulations; recoil; Doppler effect; nuclear dynamics; Auger; XPS; Theoretical chemistry; Teoretisk kemi;

    Sammanfattning : This thesis presents theoretical studies of several x-ray spectroscopies - x-ray absorption, x-ray photoelectron emission, radiative and non-radiative resonant Raman scattering spectroscopy. The main focus point is investigating the influence of nuclear dynamics on these spectra for a variety of small molecules - naphthalene, biphenyl, ethylene, the water dimer, HCl, CO. LÄS MER

  3. 2. X-ray Absorption and Fragmentationas Initial Steps of Radiation Damage in Free Organic Molecules and Nanoparticles

    Författare :Abdul Rahman Abid; Minna Patanen; Olle Björneholm; Juha Nikkinen; Laurent Nahon; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Coincidence spectroscopy; PEPI PI CO; electron spectroscopy; X-ray absorption spectroscopy; mass spectrometry; photodissociation; gas-phase; liquids; nanoparticles; charge transfer; synchrotron radiation; Fysik; Physics; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : Understanding the molecular radiation damage is crucial in radiobiology, molecular physics, and atmospheric science. In this thesis, the initial steps of radiation damage of anhydrous gas-phase molecules and hydrated nanoparticles were studied using synchrotron radiation based electron-ion coincidence spectroscopy and X-ray absorption spectroscopy under vacuum conditions. LÄS MER

  4. 3. Molecular 3D networks : self assembly of metal ions with bis-chelating ligands

    Författare :Krister Larsson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; hydrogen bonding; networks; chirality; coordination chemistry; bis-chelating ligands; pi-pi-interactions; single crystal X-ray diffraction;

    Sammanfattning : .... LÄS MER

  5. 4. Charge dynamics and electronic structure of pi-conjugated systems

    Författare :Åsa Johansson; Michael Springborg; Linköpings universitet; []
    Nyckelord :;

    Sammanfattning : The research presented in this theses deals with the electronic properties of 1rconjugated molecular systems. Charge dynamics has been studied in order to get a better understanding of the physical processes behind charge transport in these materials, intended to be used in organic molecular electronic devices. LÄS MER

  7. 5. Mechanistic Studies of Organocopper Chemistry by NMR Spectroscopy: Conjugate Additions to Alkynes and Alkenes

    Författare :Karolina Nilsson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; cyanocuprate; organocopper reagents; ynones; lithium dimethylcuprate; 13C and 15N NMR spectroscopy; pi-complexes; mechanism; enoates; 6Li; 1H-HOESY; ynoates; conjugate addition;

    Sammanfattning : This thesis focuses on the mechanisms of organocopper reactions, in particular the reactions with activated alkynes (ynoates and ynones). These reactions are of interest in the formation of new highly functionalized double bonds with control of the stereochemistry. LÄS MER