Prediction of some thermodynamic properties of selected compounds of element 104

A set of parametrized equations has been published by Bratsch and Lagowski for calculating thermodynamic properties of the lanthanides, actinides, element 104, and certainrelated elements. Since these equations were applied to element 104, new values for the first four ionization energies and radii of the ions of charge +1, +2, +3, and +4 have been calculated for this element. The parametrized equations are used here with these new values to calculate some thermodynamic properties of element 104.

Predicted properties of the superheavy elements. III. Element 115, Eka-Bismuth

Element 115 is expected to be in group V-a of the periodic table and have most stable oxidation states of I and III. The oxidation state of I, which plays a minor role in bismuth chemistry, should be a major factor in 115 chemistry. This change will arise because of the large relativistic splitting of the spherically symmetric 7p_l/2 shell from the 7P_3/2 shell. Element 115 will therefore have a single 7p_3/2 electron outside a 7p^2_1/2 closed shell. The magnitude of the first ionization energy and ionic radius suggest a chemistry similar to Tl^+. Similar considerations suggest that 115^3+ will have a chemistry similar to Bi^3+. Hydrolysis will therefore be easy and relatively strongly complexing anions of strong acids will be needed in general to effect studies of complexation chemistry. Some other properties of 115 predicted are as follows: ionization potentials I 5.2 eV, II 18.1 eV, III 27.4 eV, IV 48.5 eV, 0 \rightarrow 5^+ 159 eV; heat of sublimation, 34 kcal (g-atom)^-1; atomic radius, 2.0 A; ionic radius, 115^+ 1.5 A, 115^3+ 1.0 A; entropy, 16 cal deg^-1 (g-atom)^-l (25°); standard electrode potential 115^+ |115, -1.5 V; melting and boiling points are similar to element 113.

Synthesis of N-amino compounds and C2 symmetric N-amino compounds and transformation into aziridines using olefins

Aziridine, Stickstoffanaloga der Epoxide, können regio- und stereoselektive Ringöffnungsreaktionen eingehen, wodurch ihnen als „building blocks“ in der Organischen Synthese eine große Bedeutung zukommt. In dieser Arbeit wurden unterschiedliche N-Aminoverbindungen synthetisiert sowie die Anwendungsmöglichkeit dieser Hydrazinderivate als Stickstoffquellen in Aziridinierungen von Olefinen untersucht. In der vorliegenden Dissertation wurde eine neue Methode zur Darstellung von N-Aminosuccinimid entwickelt und die Einsatzmöglichkeit als Stickstoffquelle in Aziridinierungsreaktionen in einer Reihe von Umsetzungen mit funktionalisierten ebenso wie mit nicht-funktionalisierten Olefinen demonstriert. Die ableitbaren Aziridine wurden hierbei in Ausbeuten von bis zu 80 % erhalten. In der Aziridinierungsreaktion von N-Aminosuccinimid mit 4,7-Dihydro-2-isopropyl-1,3-dioxepin resultieren bicyclische Aziridinierungsprodukte, die als endo/exo-Isomere in einem 1:1-Verhältnis anfallen. Es ist in dieser Arbeit gelungen, die Isomere in guten Ausbeuten zu erhalten, sie säulenchromatographisch zu trennen und ihre Konfiguration im festen Zustand mittels Kristallstrukturanalyse eindeutig zu bestimmen. Enantiomerenangereicherte Olefine, wie z. B. in 2-Position alkylsubstituierte 5-Methyl-4H-1,3-dioxine mit Enantiomerenüberschüssen von 92% ee liefern in der Aziridinierung mit N-Aminosuccinimid und Iodosylbenzol ein 4-Methyl-1,3-oxazolidin-4-carbaldehydderivat in einer zweistufigen Reaktion- der Aziridinierung und einer Umlagerung- ein 4-Methyl-1,3-oxazolidin-4-carbaldehydderivat. Für die Diastereoselektivität des Aziridinierungsschrittes wurde 65 % de bestimmt. In einer neuen Synthese über zwei Stufen ausgehend von (+)-3,4-Dimethoxysuccinanhydrid konnte ein chiraler Stickstoffüberträger - (+)-N-Amino-3,4-dimethoxysuccinimid - in Ausbeuten bis zu 86 % synthetisiert. Die Umsetzung dieser optisch aktiven Stickstoffquelle mit einer Vielzahl prochiraler Alkene führt zu diastereomeren Aziridinen in Ausbeuten bis zu 65% und Diastereoselektivitäten von bis zu 66% de. Anhand ausgewählter Verbindungen konnten die Absolutkonfigurationen der Reaktionsprodukte mittels Kristallstrukturanalyse eindeutig geklärt werden.

Optical amplification and stability of spiroquaterphenyl compounds and blends

In this contribution, we present a systematic investigation on a series of spiroquaterphenyl compounds optimised for solid state lasing in the near ultraviolet (UV). Amplified spontaneous emission (ASE) thresholds in the order of 1 μJ/cm2 are obtained in neat (undiluted) films and blends, with emission peaks at 390 1 nm for unsubstituted and meta-substituted quaterphenyls and 400 4 nm for para-ether substituted quaterphenyls. Mixing with a transparent matrix retains a low threshold, shifts the emission to lower wavelengths and allows a better access to modes having their intensity maximum deeper in the film. Chemical design and blending allow an independent tuning of optical and processing properties such as the glass transition.

A pilot investigation of the relationship between climate variability and milk compounds under the bootstrap technique

This study analyzes the linear relationship between climate variables and milk components in Iran by applying bootstrapping to include and assess the uncertainty. The climate parameters, Temperature Humidity Index (THI) and Equivalent Temperature Index (ETI) are computed from the NASA-Modern Era Retrospective-Analysis for Research and Applications (NASA-MERRA) reanalysis (2002–2010). Milk data for fat, protein (measured on fresh matter bases), and milk yield are taken from 936,227 milk records for the same period, using cows fed by natural pasture from April to September. Confidence intervals for the regression model are calculated using the bootstrap technique. This method is applied to the original times series, generating statistically equivalent surrogate samples. As a result, despite the short time data and the related uncertainties, an interesting behavior of the relationships between milk compound and the climate parameters is visible. During spring only, a weak dependency of milk yield and climate variations is obvious, while fat and protein concentrations show reasonable correlations. In summer, milk yield shows a similar level of relationship with ETI, but not with temperature and THI. We suggest this methodology for studies in the field of the impacts of climate change and agriculture, also environment and food with short-term data.