Search results for "ddc:54"
showing 10 items of 218 documents
A Next‐Generation Air‐Stable Palladium(I) Dimer Enables Olefin Migration and Selective C−C Coupling in Air
2020
Abstract We report a new air‐stable PdI dimer, [Pd(μ‐I)(PCy2 tBu)]2, which triggers E‐selective olefin migration to enamides and styrene derivatives in the presence of multiple functional groups and with complete tolerance of air. The same dimer also triggers extremely rapid C−C coupling (alkylation and arylation) at room temperature in a modular and triply selective fashion of aromatic C−Br, C−OTf/OFs, and C−Cl bonds in poly(pseudo)halogenated arenes, displaying superior activity over previous PdI dimer generations for substrates that bear substituents ortho to C−OTf.
A polymeric two-dimensional mixed-metal network. Crystal structure and magnetic properties of {[P(Ph)4][MnCr(ox)3]}
1994
Abstract The mixed-metal ferromagnet {[P(Ph) 4 ][MnCr(ox) 3 ]} n , where Ph is phenyl and ox is oxalate, has been prepared and a two-dimensional network structure, extended by Mn(II)-ox-Cr(III) bridges, has been determined from single crystal X-ray data. Crystal data: space group R 3 c , a = b =18.783(3), c =57.283(24) A, α=β=90, γ=120°, Z =24 (C 30 H 20 O 12 PCrMn). The magnetic susceptibility data obey the Curie-Weiss law in the temperature range 260–20 K with a positive Weiss constant of 10.5 K. The temperature dependence of the molar magnetization exhibits a magnetic phase transition at T c =5.9 K. The structure is discussed in relation to the strategy for preparing molecular based ferr…
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems.
2015
This Open Access Article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Frontispiece: A Novel High‐Pressure Tin Oxynitride Sn 2 N 2 O
2020
Chemistry - a European journal 26(10), 2187-2194 (2020). doi:10.1002/chem.202081063
Quantum Chemical Calculations Show that the Uranium Molecule U2 Has a Quintuple Bond.
2005
Covalent bonding is commonly described by Lewis's theory1, with an electron pair shared between two atoms constituting one full bond. Beginning with the valence bond description2 for the hydrogen molecule, quantum chemists have further explored the fundamental nature of the chemical bond for atoms throughout the periodic table, confirming that most molecules are indeed held together by one electron pair for each bond. But more complex binding may occur when large numbers of atomic orbitals can participate in bond formation. Such behaviour is common with transition metals. When involving heavy actinide elements, metal–metal bonds might prove particularly complicated. To date, evidence for ac…
Expression of the Anti-amyloidogenic Secretase ADAM10 Is Suppressed by Its 5′-Untranslated Region*
2010
Proteolytic processing of the amyloid precursor protein by alpha-secretase prevents formation of the amyloid beta-peptide (Abeta), which is the main constituent of amyloid plaques in brains of Alzheimer disease (AD) patients. alpha-Secretase activity is decreased in AD, and overexpression of the alpha-secretase ADAM10 (a disintegrin and metalloprotease 10) in an AD animal model prevents amyloid pathology. ADAM10 has a 444-nucleotide-long, very GC-rich 5'-untranslated region (5'-UTR) with two upstream open reading frames. Because similar properties of 5'-UTRs are found in transcripts of many genes, which are regulated by translational control mechanisms, we asked whether ADAM10 expression is…
An ab initio and DFT study of the fragmentation and isomerisation of MeP(O)(OMe)+
2004
The fragmentation behaviour of the ion MeP(O)OMe+ has been investigated using quantum mechanical calculations at the B3LYP and MP2 levels to support experiments made with an Ion Trap Mass Spectrometer. Two mechanisms for the loss of CH2O are found, one involving a 1,3-H migration to phosphorus and the other a 1,2-methyl migration to give P(OMe)2+ followed by a 1,3-H migration. In each case an ion-dipole complex is formed that rapidly dissociates to yield CH2O. The relative importance of each route has been previously determined experimentally via isotopic labelling experiments, and the theoretical results are found to be consistent with these experimental results. The mechanisms suggested i…
Fonctionnalisation et métallisation des diamantoïdes
2015
The thesis deals with development of synthetic methods for preparation of novel carbon-metal organohybrid based on diamondoid and palladium. The vapor pressure of various diamondoids was measured from a new measurement protocol at solid-vapor thermodynamic equilibrium state. Their volatile tendency opened a possibility to do deposition from gas phase and at various pressure (ambient, primary vacuum, and high vacuum) of diamondoids on silicon or mica substrates. SEM observations have shown that depending on the type of functional groups on the diamondoid, different crystal shapes can be produced (rods, needles, triangles, truncated octahedral form).OMCVD of palladium on functionalized diaman…
Archaeometric study of execution techniques of white Attic vases: the case of the Perseus crater in Agrigento
2022
The white ground crater by the Phiale Painter (450–440 BC) exhibited in the “Pietro Griffo” Archaeological Museum in Agrigento (Italy) depicts two scenes from Perseus myth. The vase is of utmost importance to archaeologists because the figures are drawn on a white background with remarkable daintiness and attention to detail. Notwithstanding the white ground ceramics being well documented from an archaeological and historical point of view, doubts concerning the compositions of pigments and binders and the production technique are still unsolved. This kind of vase is a valuable rarity, the use of which is documented in elitist funeral rituals. The study aims to investigate the constituent m…
Highly Luminescent Transparent Cs 2 Ag x Na 1– x Bi y In 1– y Cl 6 Perovskite Films Produced by Single-Source Vacuum Deposition
2023
Thermal deposition of halide perovskites as a universal and scalable route to transparent thin films becomes highly challenging in the case of lead-free double perovskites, requiring the evaporation dynamics of multiple metal halide sources to be balanced or a single-phase precursor preliminary synthesized to achieve a reliable control over the composition and the phase of the final films. In the present Letter, the feasibility of the single-source vacuum deposition of microcrystalline Cs2AgxNa1-xBiyIn1-yCl6 double perovskites into corresponding transparent nanocrystalline films while preserving the bulk spectral and structural properties is shown. The perovskite films produced from the mos…