Rapport för Bolognanätverket för Kemiutbildningar

The network for Academic Chemistry Educations in Sweden has served the purpose of arranging regular meetings of representatives from all institutions partaking in higher education in chemistry in Sweden, and for the arrangement of the triennial conference SPUCK. The main result achieved by this network, apart from a tangibly enhanced cohesion of academic education in chemistry, has been common guidelines for recruitment of students nationally, and help in international recruitment, collaboration on issues concerning the implementation of the Bologna process and collaboration on the evaluation of employability of students

The phase equilibria in the Au-In-Ga ternary system

The phase equilibria of the Au–In–Ga system were investigated for the first time using Differential Thermal Analysis (DTA), X-Ray Diffractometry (XRD), Energy Dispersive X-ray Spectroscopy (EDS) and Scanning Electron Microscopy (SEM). A new ternary phase (Au2InGa2) with the hexagonal structure (P63/mmc) was discovered which melts incongruently at 394 °C. From the experimental results, several invariant reactions have been identified and discussed

The composite structure of mixed τ-(Ag, Cu)xV2O5 bronzes—Evidence for T dependant guest-species ordering and mobility

The complex structural behavior of τ-[AgCu]∼0.92V4O10 has been elucidated by single crystal X-ray diffraction and thermal analysis. The τ-phase region is apparently composed of several distinct phases and this study identifies at least three: τ1rt, τ2rt and τlt. τ1rt and τ2rt have slightly different compositions and crystal habits. Both phases transform to τlt at low temperature. The room temperature modification τ1rt crystallizes in an incommensurately modulated structure with monoclinic symmetry C2(0β1/2) [equivalent to no 5.4, B2(01/2γ) in the Intnl. Tables for Crystallography, Volume C] and the cell parameters a=11.757(4)Å, b=3.6942(5)Å c=9.463(2)Å β=114.62(2)° and the q-vector (00.921/2), but it is more convenient to transform this to a setting with a non-standard centering X=(1/21/200; 001/21/2; 1/21/21/21/2;) and an axial q vector (00.920). The structure features a vanadate host lattice with Cu and Ag guests forming an incommensurate composite. The structural data indicates perfect Ag/Cu ordering. At low temperature this modification is replaced by a triclinic phase characterized by two independent q-vectors. The τ2rt phase is similar to the low temperature modification τlt but the satellite reflections are generally more diffuse

Inheritance of the guanidinium chloride structure in two molybdenum (II) chloride salts

Depending on the proticity of the solvent, two different salts may be crystallized from the combination of solutions of guanidinium chloride, C(NH2)3Cl, and the acidic hydrate of molybdenum dichloride, [(Mo6Cl8)Cl6](H20 O9). From aprotic solvents such as dimethyl sulfoxide (DMSO) or formamide (FA), compound I, [(Mo6Cl8) Cl6]Cl6(C(NH2)3)8, crystallizes, while from protic solvents such as ethanol or water, compound II, [(Mo6Cl8)Cl6]Cl3 (C(NH2)3)5, crystallises. In both compounds, the basic motif of the two parent structures, the octahedral [(Mo6Cl8)Cl6]2- cluster and the planar, triangular, C(NH2)3Cl3 entity are fairly well preserved. The assembly of the blocks, however, differs distinctly, and while both compounds are rather porous, compound I (s.g. Fm3̄m, No. 225) has a volume of 27 Å3/ non-hydrogen atom, compound II (s.g. C2/c, No. 15) is somewhat denser, with a volume of 24 Å3/non-hydrogen atom

Linear Metal Chains in Ca2M2X (M = Pd, Pt; X = Al, Ge): Origin of the Pairwise Distortion and Its Role in the Structure Stability

A series of four new analogue phases Ca2M2X (M = Pd, Pt and X = Al, Ge) were prepared by direct combination of the respective elements in stoichiometric mixtures at high temperature in order to analyze the impact of valence electron count (vec) and electronegativity differences (Δχ) on the structure selection and stability. Their crystal structures, as determined from single-crystal X-ray diffraction data, correspond to two different but closely related structure types. The first compound, Ca2Pd2Ge (I), is an unprecedented ternary ordered variant of the Zr2Al3-type (orthorhombic, Fdd2). The three other phases, Ca2Pt2Ge (II), Ca2Pd2Al (III) and Ca2Pt2Al (IV), adopt the Gd2Ge2Al-type structure (monoclinic, C2/c). All title structures feature linear chains of the noble metals (Pd or Pt). The Pd linear chains in I are undistorted with equidistant Pd···Pd atoms, whereas the metal chains in II–IV are pairwise distorted, resulting in short connected {Pd2} or {Pt2} dumbbells that are separated by longer M···M contacts. The occurrence and magnitude of the pairing distortion in these chains are controlled by the vec and the Δχ between the constituent elements, a result which is supported by analysis of the calculated Bader effective charges. The metal chains act as charge modulation units, critical for the stability and the electronic flexibility of the structures by an adequate adjustment of the metal–metal bond order to both the vec and the degree of charge transfer. Thus, Ca2Pd2Ge (28 ve/f.u) is a Zintl-like, charge optimized phase with formally zerovalent Pd atoms forming the undistorted metal chains; semimetallic properties are predicted by TB-LMTO calculations. In contrast, the isoelectronic Ca2Pt2Ge is predicted to be a good metal with the Fermi level located at a local maximum of the DOS, a fingerprint of potential electronic instability. This is due to greater charge transfer to the more electronegative Pt atoms forming the metal chains and probably to packing frustration in the well packed structure that may prevent a larger distortion of the Pt chains. However, the instability is suppressed in the aliovalent but isostructural phases Ca2M2Al (27 ve/f.u) with an enhancement of the pairing distortion within the metal chains but lower M–M bond order. Further reduction of the vec as in Ca2M2Cd (26 ve/f.u) may induce a transition toward the more geometrically flexible W2CoB2-type with a low dimensional structure, to create more room for a larger distortion of the metal chain as dictated by the shortage of valence electrons

A di-iron(III) mu-oxido complex as catalyst precursor in the oxidation of alkanes and alkenes

The oxido-bridged diiron(III) complex [Fe-2(mu-O)(mu-OAc)(DPEAMP)(2)](OCH3) (1), based on a new unsymmetrical ligand with an N4O donor set, viz. [2-((bis(pyridin-2-ylmethyl)amino)methyl)-6-((ethylamino)methyl)-4-meth-ylphenol (HDPEAMP)], has been prepared and characterized by spectroscopic methods and X-ray crystallog-raphy. The crystal structure of the complex reveals that each Fe(III) ion is coordinated by three nitrogen and three oxygen donors, two of which are the bridging oxido and acetate ligands. Employing H2O2 as a terminal oxidant, 1 is capable of oxidizing a number of alkanes and alkenes with high activity. The catalytic oxidation of 1,2-dimethylcyclohexane results in excellent retention of configuration. Monitoring of the reaction of 1 with H2O2 and acetic acid in the absence of substrate, using low-temperature UV-Vis spectroscopy, suggests the in situ formation of a transient Fe(III)(2)-peroxido species. While the selectivity and nature of oxidation products implicate a high-valent iron-oxido complex as a key intermediate, the low alcohol/ketone ratios suggest a simultaneous radical-based process.Peer reviewe

Bis(isopropyl­triphenyl­phospho­nium) di-μ-iodido-bis­[iodidocopper(I)]

The title compound, (C21H22P)2[Cu2I4], prepared from reaction between copper powder, iodine and isopropyl triphenyl­phospho­nium iodide in hydroxy­acetone (acetol), shows an already known Cu2I4 2− anion with a planar conformation [Cu—I range = 2.5108 (3)–2.5844 (3) Å and I—Cu—I range = 110.821 (10)–125.401 (10)°]