Search results for "Theoretical Chemistry"
showing 10 items of 8456 documents
Studies of structural composition distribution heterogeneity in ethylene/1-hexene copolymers using thermal fractionation technique (SSA)
2005
Abstract Investigations into the compositional heterogeneity of ethylene/1-hexene copolymers obtained with various zirconocene/MAO catalysts, either homogeneous or supported on inorganic carriers such as a complex of magnesium chloride with tetrahydrofuran or methyl alcohol, were conducted. The dependence between metallocene structure, as well as catalyst immobilization, and the compositional heterogeneity of the related products was investigated. It was found that the heterogeneity of copolymers is determined by the metallocene catalyst structure. The amount of peaks on the DSC thermograms of copolymers and their division increase with the increase of bulkiness of the ligand in the catalyt…
Thermal Properties, Raman Spectroscopy and Tem Images of Neutron-Bombarded Graphite
2013
Neutron-irradiated graphite to a total dose of 3.6 × 1016 n cm−2 was studied by DSC, Raman spectroscopy and transmission electron microscopy (TEM). The Wigner energy of neutron-irradiated graphite was 9.5 J/g as measured by DSC; it was released with an exothermal peak at 220°C. The Raman spectroscopy has confirmed the expected effect caused by neutron irradiation of the graphite substrate. The TEM imaging has shown that neutron-irradiated graphite can be effectively exfoliated by sonication in comparison to pristine graphite, which under similar conditions does not exfoliate at all. The interstitial Frenkel defects in neutron-irradiated graphite are intercalated between the graphene layers …
Barrier properties of chitosan coated polyethylene
2012
The transfer properties of chitosan coated polyethylene (PE) films were studied. The barrier properties of non coated PE were not affected by relative humidity changes. The presence of the hydrophilic chitosan layer acted as a water reservoir on the polyethylene film surface which significantly promoted its sensitivity to the water vapour. The water vapour permeability increased 1.85 times at a higher RH. Coated PE films showed more than two-order decrease in the oxygen permeability (PO2) and three-order-decrease in the carbon dioxide permeability (PCO2). When the chitosan coated PE surface was exposed to the water vapour, the PO2 and the PCO2 were significantly increased. However, the perm…
Prolin-benzylester als chirale Hilfsgruppen in asymmetrischen 1,3-dipolaren Cycloadditionen mit Nitriloxiden
1990
Proline Benzyl Esters as Chiral Auxiliaries in Asymmetric 1,3-Dipolar Cycloadditions N-Acryloylproline benzyl ester (1b) reacts with nitrile oxides at temperatures from −78 to 0°C to give isoxazolines 4/5 with diastereomeric ratios of ca. 3:1 and with the (5S) isomer as the predominating. The corresponding N-methacryloylproline benzyl ester (1c) gives inferior results. The diastereoselectivity is not influenced by the temperature and the substituents of the nitrile oxides. To prove the absolute configuration of the predominating stereoisomer, a reaction sequence is developed which makes use of an enantioselective hydrolysis with pig liver esterase as the key step to generate an optically ac…
Formation and characterization of oxidic and metallic Fe/Ni multilayers prepared from Langmuir-Blodgett films
1994
Oxidic and metallic iron, nickel, and mixed iron/nickel mono- and multilayers were prepared by some treatments of iron- and nickel-containing Langmuir-Blodgett films. The layers were characterized by several surface-sensitive methods. Interactions between the iron and the nickel could be observed. The results are different to those obtained from disordered bulk alloys and from simple diffusion calculations.
Investigation of the dynamics of bacteriorhodopsin
1990
Bacteriorhodopsin (bR) converted to the blue form by deionization has been reconstituted to the active purple membrane by addition of57Fe ions. Mossbauer spectra measured in a wide temperature range reveal Fe3+ binding places with oxygen atoms in the neighbourhood. No evidence for a well defined functional binding place of the iron has been found. On a timescale faster 100 ns the purple membrane shows increasing flexibility above 200 K. In order to analyse the influence of the lipids, a bacteriorhodopsin sample where the lipid content has been increased artificially by the incorporation of DMPC as well as a sample consisting of lipid bilayer have been investigated.
Mössbauer and TEM studies of the perovskite system (1-y)La2/3 $$A$$ 1/3TiO3·yLaFeO3
1994
The microscopic nature of the Mossbauer phase analysis has been found as being particularly valuable in testing assumptions suggested by TEM results regarding the microdomain structure and the population of different lattice sites by iron ions in the perovskite system (1-y)La2/3\(A\)1/3TiO3·yLaFeO3 with 0.04<y < 0.25 (\(A\) is an A-site vacancy). This system was found to contain only Fe3+-phases which are stable under normal conditions, but moderate heating in vacuo causes a partial reduction of ferric ions to ferrous ions.
Crystal structure of the molecular adduct of dimethyltin(IV) chloride with N,N′-ethylenebis(salicylideneiminato) nickel(II)
1974
Abstract N,N′-Ethylenebis(salicylideneiminato)nickel(II) behaves as a neutral bidentate ligand through its oxygen atoms forming binuclear complexes with organotin(IV) chlorides. The crystal structure of the dimethyl derivative is reported.
Die Cooligomerisierung von butadien mit α-hydroxycarbonsäureestern
1977
Abstract Glycolic acid butyl ester as well as lactic acid ethyl ester react with butadiene in the presence of palladium(II) acetylacetonate and triphenylphosphine as catalyst. The main product is the 2-trans, 7-octadienyl ether of the hydroxy acid ester, which is formed in yields from 65 to 80% at room temperature.
Identifying Iron-Bearing Nanoparticle Precursor for Thermal Transformation into the Highly Active Hematite Photo-Fenton Catalyst
2020
Funding: This reseach was funded by the European Regional Development Fund within the Activity 1.1.1.2 “Post-doctoral Research Aid” of the Specific Aid Objective 1.1.1 “To increase the research and innovative capacity of scientific institutions of Latvia and the ability to attract external financing, investing in human resources and infrastructure” of the Operational Programme “Growth and Employment” (No. 1.1.1.2/VIAA/1/16/157).