First integrals for Finsler metrics with vanishing $$\chi $$ -curvature

Annals of Global Analysis and Geometry - We prove that in a Finsler manifold with vanishing $$\chi $$ -curvature (in particular with constant flag curvature) some non-Riemannian geometric...     

Energy-adjustedab initio pseudopotentials for the second and third row transition elements

Summary Nonrelativistic and quasirelativisticab initio pseudopotentials substituting the Mup>(Z–28)+up>-core orbitals of the second row transition elements and the Mup>(Z–60)+up>-core orbitals of the third row transition elements, respectively, and optimized (8s7p6d)/[6s5p3d]-GTO valence basis sets for use in molecular calculations have been generated. Additionally, corresponding spin-orbit operators have also been derived. Atomic excitation and ionization energies from numerical HF as well as from SCF pseudopotential calculations using the derived basis sets differ in most cases by less than 0.1 eV from corresponding numerical all-electron results. Spin-orbit splittings for lowlying states are in reasonable agreement with corresponding all-electron Dirac-Fock (DF) results.     

Crystal and molecular structure of [9-(2′-tosylaminophenyl)-6-methylthio-3-acetyl-5,7,8-triazanone-3,6,8-thien-2-one]

Institute for Applied Physics, Academy of Sciences of the Moldavian SSR. Institute of Chemistry, Academy of Sciences of the Moldavian SSR. Nat. Research Institute for Physics and Organic Chemistry, Rostov State University. Translated from Zhurnal Strukturnoi Khimii, Vol. 31, No. 2, pp. 199–202, 1990.     

The detection of formaldehyde in textiles using interdigitated microelectrode array diffusion layer titration with electrogenerated hypobromite

An interdigitated microelectrode array (IDA) was applied to the determination of formaldehyde released from textiles produced in industry. The proposed method is based on formaldehyde reaction with hypobromite which is formed in weakly basic media by control current electrooxidation of bromide on the generator segment of the IDA array. The unreacted hypobromite diffuses through the gap between individually polarisable IDA segments and it is amperometrically detected on the collector segment of the IDA. The efficiency of this nonconvective transfer process in the absence of formaldehyde was substantially higher (78%) in comparison with that when using the rotating ring disc electrode. The influence of the added formaldehyde on the transfer process can be utilised to develop a simple and sensitive analytical procedure for formaldehyde detection with a detection limit of 4×10up>−6up> mol dmup>−3up>.     

Kinetic study of the crystallization processes of some decorative ceramic glazes

A kinetic study of the crystallization processes was performed for some decorative ceramic glazes in the PbO-SiOub>2ub>-Naub>2ub>O-Kub>2ub>O-CaO(BaO)-Alub>2ub>Oub>3ub>-Bub>2ub>Oub>3ub> system with addition of 10% TiOub>2ub> and ZnO. The crystallization kinetics has been studied in non-isothermal conditions using DTA technique. The apparent activation energies of the crystallization processes were calculated using the Kissinger method. The main crystalline phase, which provides the decorative effect, is rutile. This has been identified by X-ray diffraction and it is clearly visible in the optical microscopy images taken in transmitted light, as needle-like or even prismatic crystals arranged in radial-fibrous aggregates.     

Template synthesiS: Geometrical and electronic structures of the Fe nitrosyl complex formed by bis(S-methylisothiosemicarbazone)-2,4-pentandione

Sodium acetylacetonate reacts with S-metliylisothiosemicarbazidium nitrate and Fe(NOub>3ub>)ub>3ub> · 9Hub>2ub>O in ethanol to make [Fe(HL)NO]NOub>3ub>, in which Hub>3ub>L is bis(S-methyl-isothiosemicarbazone)-2,4-puntandione. The [Fe(HL)NO]up>+up> cation has a square pyramidal structure with the HLup>2-up> arranged around the central ion in the basal plane and the nitrogen atom of the NO group in the apical position, with the iron atom diverging from the plane of the base of the pyramid by 0.477 Å. The FeN0 moiety has a linear structure (u/xxlarge8736.gif" alt="ang" align="BASELINE" BORDER="0">FeNO = l72.7°). XRD, IR, and Mössbauer spectroscopy have been combined with calculations on the electronic structure to demonstrate that the Fe-NO bond is covalent.Chemical Institute, Academy of Sciences of Moldavian SSR. Applied Physics Institute, Academy of Sciences of the Moldavian SSR. Kishinev. Institute of Crystallography, Academy of Sciences of the USSR. Kurnakov Institute for General and Inorganic Chemistry, Academy of Sciences of the USSR, Moscow. Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 27, No, 3, pp. 376–381, May–June, 1991. Original article submitted February 18, 1991.     

Dynamic light scattering and cryogenic transmission electron microscopy investigations on metallo-supramolecular aqueous micelles: evidence of secondary aggregation

Metallo-supramolecular diblock copolymers consisting of a polystyrene (PS) block connected to a poly(ethylene oxide) (PEO) block by a bis(terpyridine)ruthenium complex (PSub>20ub>-[Ru]-PEOub> y ub>) were used to prepare aqueous micelles. The length of the PS block was kept constant, while two PEOs of different molecular weight were used. The resulting hydrated micelles and aggregates were characterized by a combination of cryogenic transmission electron microscopy (cryo-TEM) and dynamic light scattering measurements. The results were compared to those obtained for a covalent counterpart (PSub>22ub>-b-PEOub>70ub>). Cryogenic transmission electron microscopy allowed visualization of the PS core of the micelles. Moreover, the aggregates result from clustering of individual micelles.     

Mass spectra of the coordination compounds of nickel with the tetradentate Schiff bases of S-substituted thiosemicarbazides with 2,4-pentanedione and 3-oxo-2,4-pentanedione

The mass spectra of the coordination compounds of nickel(II) with the bis-S-substituted thiosemicarbazones of 2,4-pentanedione (Rub>2ub>Hub>2ub>L) with the general formula [NiRub>2ub>HL]X and of 3-oxo-2,4-pentanedione (Hub>2ub>Rub>2ub>LO) with the general formula NiRub>2ub>LO were studied. A distinguishing feature of the mass spectra of [NiRub>2ub>HL]X is the absence of molecular ion peaks. The initial point of fragmentation is the [M - HX] ions. The strongest lines in spectra of NiRub>2ub>LO are those due to the elimination of R and R-H. At the first stage the fragmentation of all the investigated compounds takes place mainly through only one of the thiosemicarbazide residues. At the second stage the 2,4-pentanedione (3-oxo-2,4-pentanedione) residue is eliminated, after which the remaining thiosemicarbazide part dissociates. A significant part of the fragmentation paths was confirmed by the peaks of the metastable ions and also by the mass spectra of the deuterated analogs.Institute of Chemistry, Academy of Sciences of the Moldavian SSR, Kishinev. Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 27, No. 2, 205–211, March–April, 1991. Original article submitted August 19, 1986.