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51.
Krystyna Holderna-Natkaniec Ireneusz Natkaniec Weronika Kasperkowiak Elzbieta Sciesinska Jacek Sciesinski Edward Mikuli 《Journal of Molecular Structure》2006,790(1-3):94-113
FTIR and IINS spectra of 6-Furfurylaminopurine (6-FAP) and 6-Benzylaminopurine (6-BAP) taken at different temperatures have been analysed and compared with the spectra calculated by the ab initio DFT/B3LYP method and the semiempirical PM3 method in the isolated molecule approximation, for the tautomers N3-H, N7-H and N9-H, and dimers with hydrogen bonds. For 6-FAP the best agreement between the calculated and experimental (at 20 K) spectra has been found for the N9-H tautomer, whose structure was established by X-ray diffraction. For 6-BAP the analogous agreement for the N9-H tautomer structure has been poor and much better for the N7-H tautomer. The vibrational spectra calculated for dimers of the molecules studied involved in hydrogen bonds, permitted also an interpretation of the bands whose positions and FWHM in the FTIR spectra changed with temperature. 相似文献
52.
Colloidal dispersions of calcium carbonate, stabilised primarily by a surface active agent, in both toluene and dodecane have been examined by small angle neutron scattering. A model has been developed to simulate the scattering behaviour of the particles and is based on the idea of a concentric sphere with a homogeneous layer of adsorbed material surrounding a core particle. Computations based on the model show a wide variation of scattering behaviour with variation of the coherent scattering length of the dispersion medium. These predictions were confirmed by experiment. A method is described for analysis of the experimental data which leads to a determination of the thickness of the adsorbed layer, the radius of the core particle and the standard deviation of core particle radius. 相似文献
53.
Zeisler R 《Analytical and bioanalytical chemistry》2004,378(5):1277-1283
NIST maintains a portfolio of more than 1300 standard reference materials (SRM), more than a third of these relating to measurements in the biological and environmental fields. As part of the continuous renewal and replacement efforts, a set of new marine sediments has been recently developed covering organic and inorganic determinations. This paper describes the steps taken in sample preparation, homogeneity assay, and analytical characterization and certification with specific emphasis on SRM 2702 inorganics in marine sediment. Neutron activation analysis showed the SRM to be highly homogeneous, opening the possibility for use with solid sampling techniques. The certificate provides certified mass fraction values for 25 elements, reference values for eight elements, and information values for 11 elements, covering most of the priority pollutants with small uncertainties of only several percent relative. The values were obtained by combining results from different laboratories and techniques using a Bayesian statistical model. An intercomparison carried out in field laboratories with the material before certification illustrates a high commutability of this SRM.Electronic Supplementary Material Supplementary material is available in the online version of this article at 相似文献
54.
K3MnH5, the First Salt-like Manganese Hydride K3MnH5 and K3MnD5 were synthesized by the reaction of potassium hydride (deuteride) with manganese powder under a hydrogen pressure above 3000 bar at 875 K. X-ray investigations on powdered samples and elastic neutron diffraction experiments on the deuterated compound at the time-of-flight spectrometer LAD in the temperature range 5–600 K led to the complete structure determination. The atomic arrangement is isotypic with that of Cs3[CoCl4]Cl (space group: 14/mcm, Z = 4). The structure of K3MnH5 contains isolated [MnH4]2?-tetrahedra and additional hydrogen ions which are exclusively coordinated by potassium cations. The magnetic susceptibilities show Curie-Weiss behaviour. At temperatures below 50 K there are obviously antiferromagnetic interactions. 相似文献
55.
Jeong Hwan Kim Ji Hoon Ko Byeong-Soo Bae 《Journal of Sol-Gel Science and Technology》2007,41(3):249-255
Multi-scale hybrid nanocomposites containing both ∼15 nm silica colloids and ∼2 nm oligosiloxanes in a methacryl polymer matrix
were newly designed and fabricated. Colloidal silica sols were dispersed in methacryl oligosiloxanes nano-hybrid resins synthesized
by sol-gel reaction of methacryloxypropylmethoxysilane and diphenylsilanediol. On the basis of TEM and SANS analyses, it was
confirmed that the silica colloids were compatibly dispersed and different sizes of colloidal silica and oligosiloxanes co-exist
in the solutions. Multi-scale hybrid nanocomposites fabricated by UV and thermal curing with incorporation of silica colloids
in the nano-hybrid materials show enhanced mechanical and thermal characteristics. 相似文献
56.
Synthesis and Structure of Li3RhH6 — a Ternary Hydride with Isolated [RhH6]3? Octahedra The ternary rhodium hydride Li3RhH6 was synthesized by the reaction of lithium hydride with rhodium under a hydrogen pressure of 80 bar. X-ray investigations on powdered samples and an elastic neutron diffraction experiment on the deuterated compound led to the complete structure determination (space group: Pnma, Z = 4). The atomic arrangement is isotypic to the Na3RhH6 structure type. The crystal structure contains isolated [RhH6]3? octahedra, which are separated by the lithium ions. 相似文献
57.
S. Kallus A. Hahn G. Golemme C. Algieri P. Timmins J.D.F. Ramsay 《Journal of Sol-Gel Science and Technology》2003,26(1-3):721-725
The synthesis of zeolite membranes and thin films using the secondary growth process is briefly described. In this process colloidal zeolite particles (sols) are prepared hydrothermally and then subsequently deposited on substrates to produce uniform layers of controlled thickness, as illustrated with silicalite and zeolite-A. The formation and growth of the zeolite sols has been investigated in situ by small angle neutron scattering (SANS). SANS measurements on silicalite sols at progressively higher concentrations have provided details of the colloid interactions which lead to zeolite gel-layer structures which are uniform and free of defects. 相似文献
58.
We extend a previous small-angle neutron scattering study of sodium octanoate (NaC8) micelles to the ternary system sodium octanoate/pentanol/water. The use of contrast variation through selective deuteration of individual components together with explicit computation of interference effects, permits us to deduce the location of pentanol (C5OH) in the micelles. Our main conclusion is that, although the micelles grow as (C5OH) is solubilised, there is no concomitant variation in the NaC8 aggregation number. At low alcohol concentrations, the C5OH is located near the NaC8 polar heads, while at higher concentration the -OH groups are distributed throughout the micellar core. 相似文献
59.
Magnetic Interactions in Ternary Cobalt Chalcogenides containing Isolated Tetrahedral Cobalt Anionic Groups. The Spin Structures of Na6CoS4 and Na6CoSe4 The sodium cobalt chalcogenides Na6CoS4 and Na6CoSe4 are characterized by isolated [CoX4]-units. Despite the large distances of more than 6 Å between the cobalt ions magnetic inter-actions at low temperatures lead to threedimensionally ordered spin structures, that were determined from neutron diffraction experiments. The magnetic structure can be described in the Shubnicov group P2abc21 with a unit cell that is four times as large as the crystallographic cell. The magnetic moments of both compounds correspond to the value expected for three unpaired electrons per Co2+ ion. 相似文献
60.
Vapor pressure measurements and small angle scattering (SANS) experiments are reported and discussed for bispiperidinium (BP) bromide and n-tetrapentylammonium bromide solutions in methanol at 25°C. The BP+ ion which may be considered as a tetraalkylammonium (TAA) ion with pairwise connected alkyl chains, is used for the study of the effects due to flexible TAA alkyl chains. SANS intensities are calibrated with the help of the precise osmotic coefficients from the vapor pressure measurements. 相似文献