Presentation on theme: "Department of Chemistry (Chemicum) research in society from basics to applications research-based education knowledge in service Welcome to the Department."— Presentation transcript:
Department of Chemistry (Chemicum) research in society from basics to applications research-based education knowledge in service Welcome to the Department of Chemistry!
Department Composition (education) Laboratory of Analytical Chemistry Inorganic Chemistry Organic Chemistry Physical Chemistry Polymer Chemistry Radiochemistry Centre for Chemistry Education Chemistry ICT Center (eChemicum) Laboratory for Instruction in Swedish VERIFIN
Strategic Focuses in Research (2004-2006) Green chemistry Material and nanochemistry Computational and theoretical chemistry Science teacher education and its reseach
Green Chemistry is the use of chemistry for pollution prevention. More specifically, green chemistry is the design of chemical products and processes that are more environmentally benign.
. Micro- and optoelectronics Space applications Nuclear waste purification Biomaterials Pharmaceuticals MATERIALS CHEMISTRY Application areas MOSFET transistor Grid filter for X-ray detector
. Templating by porous materials → nanowires, nanorods Templating by fibers → nanotubes Electrospinning → nanowires, nanotubes Patterning with SAMs Nanoparticles Smart polymers and materials MAKING OF NANOMATERIALS
. Nanowires, nanorods coated by ALD Glancing angle evaporation Patterning with SAMs Star polymers Block copolymers MAKING OF NANOSTRUCTURES + oblique evaporation + electrodeposition + dissolution of alumina + ALD free standing porous alumina
. Dielectrics for gate oxides in MOSFETs Dielectric films for DRAMs and FERAMs Metal films Nitride films for barriers THIN FILM MATERIALS FOR MICROELECTRONICS Al 2 O 3 film deposited by ALD from AlCl 3 and Al(O i Pr) 3. TiCl 4 + Zn + NH 3 TiN in collaboration with Intel In collaboration with NIST
INORGANIC IX MATERIALS: ”ION SIEVES” FOR HIGHLY SELECTIVE RADIONUCLIDE SEPARATIONS EXAMPLES:
Gold nanoparticles with hydrophilic and hydrophobic polymer grafts
Development of miniaturized analytical devices Electrospray devices –PDMS –SU-8 Miniaturized atmospheric pressure chemical ionization (APCI) and photoionization sources (APPI)
Development of miniaturized analytical devices Methods based on porous silicon –Desorption Ionization On Silicon (DIOS) –Filtration devices SU-8 microchannels for CE laser MS porous area sample Midazolam MW: 325
Milestones in noble-gas chemistry First compounds predicted already in 1902! Pauling 1933: XeF 6 and KrF 6 should be preparable. Bartlett 1962: first noble-gas compound, Xe[PtF 6 ]. In matrices: First : KrF 2 (Turner and Pimentel, 1963). Others: XeCl 2 (Nelson and Pimentel, 1967); ClXeF (Bondybey, 1971). Strong interactions in matrices: Cr(CO) 5 ---Rg (Perutz and Turner, 1975); Rg---BeO (Thompson and Andrews, 1994). XeAuF (Cooke and Gerry, 2004). HRgY Pettersson et al., 1995-)
photolyzedinitial sample HI/Xe, 1:1000 annealed to 45 K
HXeI 1.68 Å 3.1 Å +0.129+0.347-0.476 MP2/43333/433111/41111(Xe, I)/6-311++G(3d,3p) (H) Van der Waals -distances: H Xe 3.8 Å4.3 Å I Experimental:
(HNg) + + Y - H + Ng + Y Avoided crossing HNgY molecules correlate with neutral atomic asymptote H-Ng-Y
Effect of isotopic substitution on the fundamentals of HArF
Predicted organo-Ng-molecules Numerous Xe-containing organic molecules are known, normally containing F. Examples : R 2 Xe, where R = C 6 F 5 or 2,4,6-C 6 H 2 F 3 [CF 3 C CXe][BF 4 ] So far, no organic Ar compounds known. Non-halogen containing organic molecules predicted in 2002: Lundell et al. J. Phys.Chem. A 106 (2002) 11950. HXeC 6 H 5 HXeCCH HXeOC 6 H 5 HXeCCXeH
Predicted organo-Ng-molecules The MP2/LJ18/6- 311++G(2d,2p) calculated structure and Mulliken charges of HCOOXeH Works for larger acids, glycine, alanine and valine. J. Lundell et al., Computers&Chemistry, 24 (2000) 325-330. Xe H
Acetylenic systems HNgC 6 H and HNgC 8 H- molecules expected to be more stable than HNgC 4 H and HNgC 2 H First halogen-free organic Xe compounds. First organic Kr compounds. Challenge: Organic Ar- compound! C 2 H2.956 C 4 H3.558 C 6 H3.809 C 8 H3.996 Electron affinity: Electron affinity of C 2n H radicals localized at the C end.
Recent computational predictions H-Xe-C C-H H-Xe-C C-Xe-H H-Xe-C C-Xe- C C-Xe-C C-Xe-...-H E. C. Brown, A. Cohen and B. Gerber, JCP, 122 (2005) 171101. F-Kr-C C-H F-Kr-SiF 3 S. Yockel, A. Garg, A. Wilson, CPL., 411(2005)91.
Applications? Very high energy compounds, could form solids! Specific activation of functional groups: ”Xe-catalysis”. Function of Xe in aenesthesia Solving the ”missing Xe-problem”