Composition and thermal stability of SiO2-based hybrid materials TEOS-MTEOS system

Hybrid materials with different amounts of organics permanently bound on the inorganic network obtained in the TEOS-MTEOS (tetraethoxysilan-methyltriethoxysilan) system are used for obtaining coatings with different optical and mechanical properties. To study the thermal stability of the mentioned materials, compositions with different molar ratios of the precursors were prepared. The influence of the solvent and water amounts on the gelation process was also investigated. The gels obtained were characterised by IR spectrometry and their decomposition temperatures were determined by DTA/TG. Thermal stability of the gels is rather influenced by their composition than the conditions of the gelation process. This revised version was published online in July 2006 with corrections to the Cover Date.     

Radiation dose contribution from coal-slags used as structural building material

A significant dose contribution on the population could be derived from coal slags used as isolation material. Extremely high natural activities are measured in the coal slag, derived from the region of the settlement Ajka, Hungary. In some buildings monitored, the elevated -doses were nearly 5–10 times higher than the world average ones. The annual average indoor radon concentrations from the slag exceeded 400 Bq/m³ and in some cases up to 1200 Bq/m³. Due to the elevated exposure and the radon concentrations in the dwellings the annual dose was estimated to 8–24 mSv/y more than 5–10 times of the world average one.     

CIRCULAR DICHROISM SPECTRA OF SYSTEM I PARTICLES FROM NORMAL CHLOROPLASTS AND CAROTENOID-DEFICIENT MUTANTS OF MAIZE

Abstract— Circular dichroism (CD) spectra were studied in System I particles prepared by digitonin fragmentation of chloroplasts of normal maize and carotenoid-deficient mutants. CD bands of pigment molecules were found to be higher in particles than in solutions. This phenomenon was most pronounced for the particles containing the carotenoid composition of normal chloroplast lamellae. The CD signal of chlorophylls bound to particles of carotenoid-deficient chloroplasts was closer to that found in solutions. This indicates that aggregation and/or binding of chlorophylls in carotenoid-deficient mutants may be less extensive than in normal chloroplasts.     

Differentiable Distance Spaces

The distance function \({\varrho(p, q) ({\rm or} d(p, q))}\) of a distance space (general metric space) is not differentiable in general. We investigate such distance spaces over \({\mathbb{R}^n}\), whose distance functions are differentiable like in case of Finsler spaces. These spaces have several good properties, yet they are not Finsler spaces (which are special distance spaces). They are situated between general metric spaces (distance spaces) and Finsler spaces. We will investigate such curves of differentiable distance spaces, which possess the same properties as geodesics do in Finsler spaces. So these curves can be considered as forerunners of Finsler geodesics. They are in greater plenitude than Finsler geodesics, but they become geodesics in a Finsler space. We show some properties of these curves, as well as some relations between differentiable distance spaces and Finsler spaces. We arrive to these curves and to our results by using distance spheres, and using no variational calculus. We often apply direct geometric considerations.     

Algebraic methods for the solution of linear functional equations

The equation

$$\sum^{n}_ {i=0} a_{i}f(b_{i}x + (1 - b_{i})y) = 0$$

belongs to the class of linear functional equations. The solutions form a linear space with respect to the usual pointwise operations. According to the classical results of the theory they must be generalized polynomials. New investigations have been started a few years ago. They clarified that the existence of non-trivial solutions depends on the algebraic properties of some related families of parameters. The problem is to find the necessary and sufficient conditions for the existence of non-trivial solutions in terms of these kinds of properties. One of the earliest results is due to Z. Daróczy [1]. It can be considered as the solution of the problem in case of n = 2. We are going to take more steps forward by solving the problem in case of n = 3.

     

Infrared, Raman, and DFT vibrational spectroscopic studies of C60F36 and C60F48

IR and Raman spectra of two fluorofullerenes, C60F48 and C60F36, are thoroughly studied. Assignment of the experimental spectra is provided on the basis of density functional theory (DFT) computations. Perfect correspondence between experimental and computed spectra enabled us to confirm that the major isomer of C60F48 has D3 symmetry. It was found that as-synthesized samples of C60F36 consist mainly of C3 and C1 isomers in ca. 2:1 ratio and 2-3% of T-symmetric structures. Extensive AM1 and DFT computations have shown that all three structures are the most stable isomers of C60F36. Previous structural assignment of the C3 isomer (Gakh, A. A.; Tuinman, A. A. Tetrahedron Lett. 2001, 42, 7137-7139) was confirmed by the vibrational data.     

Observation of X1A1 vinylidene by photoelectron spectroscopy of the C2H2− ion

Photoelectron spectra of the vinylidene anion (C₂H₂^?) show vibrational structure in X¹A₁ vinylidene up 12 kcal/ mol above the vibrational ground state. Analysis yields an EA(C₂H₂$\text{X}$¹ A₁) of 0.47 ± 0.02 eV, and frequencies for the CC stretch and HCH bend. Absence of the ³B₂ state in the photoelectron spectra indicates the ¹A₁-³B₂ splitting in vinylidene is ? 1.7 eV.     

Nanochemistry – Chemical Reactions of Iron and Benzene Within Molecular Clusters

Molecular clusters represent a nanoscale test tube where chemical reactions can be examined in a unique way for the effects of the local environment and the possibility of size-dependent reactions. Previous experiments have shown that the ionization/dissociation of iron pentacarbonyl clusters can lead to the formation of iron ions and iron cluster ions and that these species can further react with dopant molecules to yield chemically rearranged products. The present experiments characterize similar reactions with benzene molecules and clusters. Heteroclusters of the form [Fe(CO)₅]_m(C₆H₆)_nAr_p are created in an expanding supersonic jet of the component molecules. Following ionization by a 30 ps, 266 nm laser pulse, extensive dissociation, aggregation, and chemical rearrangement occurs leading to ionic products which are characterized by mass spectrometry. Cluster ions of the type Fe_m(C₆H₆)_n ⁺ are observed as products. The stability of the sandwich form of the ion, Fe(benzene)₂ ⁺, is inferred from the data. Evidence for a similar special stability for the double-decker, Fe₂(benzene)₃ ⁺, is presented.