Hot topics in chemistry

Wykłady w ramach modułu „Hot topics in chemistry” dofinansowane z Europejskiego Funduszu Społecznego w ramach Programu Operacyjnego Wiedza Edukacja Rozwój:

  • Prof. dr. Frederik Tielens (Vrije Universiteit, Belgia), “Modeling of Selected Materials using DFT methods ”, 26 kwietnia 2018 roku o godz. 10.00, sala Rady Wydziału
    In this lecture we will show how modeling tool help to characterize materials at the molecular and atomic level. Together with experimental material and surface chemists, models are developped that can predict and describe complex adsorption and self-assembly processes. We will present some exemples of characterization of inorganic, organic and biological solid materials. The simulation and interpretation of spectra, as well as the calculation of electron density and its derivatives, are central in the unraveling of the materials surface and bulk structures at the atomic level.
  • Profesor Ram Kripal (Department of Physics, University of Allahabad, Allahabad, Indie), „EMR Spectroscopy and Spin-Hamiltonian of Transition Ions in Crystals”, 15 czerwca 2018 roku o godz. 14:00 w sali Rady Wydziału
    EMR is described as the observation of transitions induced by an oscillating source of electromagnetic radiation between the energy levels of a system of electronic magnetic dipoles, described equivalently as a ‘spin’ system. The transitions are observed most commonly between the energy levels of the system split by an external static magnetic field. Most important and useful information is obtained when magnetically diluted single crystals are used for EMR study. Results of directional anisotropies in the Zeeman g-factor and line width, which are observed only from single crystal study, give interesting information about the configuration of the ions present in the system. The interaction energy of a paramagnetic atom in a constant magnetic field is given by the effective spin Hamiltonian (SH), ℋspin consisting of ℋfs, ℋzee, ℋhfs, ℋq, and ℋN representing fine structure or equivalently zero-field splitting (ZFS), Zeeman energy, hyperfine structure, quadrupole energy, and nuclear spin energy, respectively. Importantly, for transition ions exhibiting an orbital singlet ground state in crystals the effective SH, ℋspin, arises from consideration of the physical Hamiltonian, ℋphys, consisting of ℋelect, ℋcf, ℋls,, representing electronic energy, crystal field energy, spin orbit interaction, respectively. Forms of spin Hamiltonians in different symmetry and for various transition ions doped in crystals are discussed.
  • Profesor Miki Hasegawa (Department of Chemistry and Biological Science, Aoyama Gakuin University, Japonia), 18 czerwca 2018 roku o godz. 12:00 w sali Rady Wydziału
  • Prof. David Virieux (ICGM, ENSCM, CNRS, Universite Montpellier, Montpellier, France), 8 marca 2018 roku o godz. 11:00 w sali 2.61
    ,,Phosphorus derivatives in organocatalysis: A journey from P(III) to P(V)”