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1.
Jitka Eysseltova 《Monatshefte für Chemie / Chemical Monthly》2005,136(9):1567-1572
Summary. Solubility isotherms in LiNO3 – LiX – H2O (X = Cl, Br, I) systems at 298.15 K were measured for the first time with special regard to the retrograde solubility of lithium nitrate trihydrate. The compositions of solutions used as media in absorption refrigerators and heat pumps were compared with the results and subsequently discussed. 相似文献
2.
Anis Saad A.K. Fedotov I.A. Svito A.V. Mazanik B.V. Andrievsky A.A. Patryn Yu.E. Kalinin A.V. Sitnikov 《Progress in Solid State Chemistry》2006,34(2-4):139
The influence of the composition on the AC carrier transport of the composite films containing ferromagnetic CoFeZr nanoparticles in amorphous aluminium oxide matrix has been investigated. The films 3–5 μm in thicknesses and with variable composition 30 at.% < X < 60 at.% were sputtered on a single substrate from the compound target in the chamber with argon–oxygen gas mixture. TEM and SEM measurements and Mössbauer spectroscopy data have shown that all the studied films of (Co0.45Fe0.45Zr0.10)X(Al2O3)1 − X with 30 at.% < X < 65 at.% have revealed the structure with crystalline granular metallic alloy (with particles of a few nanometers in size) and amorphous alumina. AC conductance measurements were performed over the frequency range 102–106 Hz at temperatures from 80 to 330 K. DC conductance measurements have been carried out for this temperature region also. The presence of two critical regions for the metallic fraction (X1 = 33–40% and X2 = 50–55%), where diagram “electric property–composition” exhibited pronounced peculiarities, has been confirmed. A qualitative structural model of nanocomposite was offered to explain this behavior. In accordance with the model, the first critical region at X1 is associated with a shift of percolation threshold due to the formation of oxide layer on metallic nanoparticles, owing to the presence of oxygen in gas ambient during the sputtering process. The second critical region of the composition at X2 is ascribed to the formation of percolation net of magnetic metallic nanoparticles in the dielectric amorphous alumina matrix. 相似文献
3.
Heidar-Ali Tajmir-Riahi 《Monatshefte für Chemie / Chemical Monthly》1987,118(2):245-254
The reaction betweenL-arabinose and hydrated uranyl salts has been investigated in aqueous solution and the solid complexes of the type UO2(L-arabinose)X
2 · 2 H2O, whereX=Cl–, Br–, and NO
3
–
, have been isolated and characterized. Due to the marked similarities with those of the structurally known Ca(L-arabinose)X
2 · 4 H2O and Mg(L-arabinose)X
2 · 4 H2O (X=Cl– or Br–) compounds, the UO
2
2+
ion binds obviously to twoL-arabinose moieties, through O1, O5 of the first and O3, O4 of the second molecule resulting into a six-coordinated geometry around the uranium ion with no direct U-X (X=Cl–, Br– or NO
3
–
) interaction. The intermolecular hydrogen bonding network of the freeL-arabinose is rearranged upon uranium interaction. The -anomer configuration is predominant in the freeL-arabinose, whereas the -anomer conformation is preferred in the uranium complexes.
Darstellung, spektroskopische und Strukturanalyse von Uran-Arabinose Komplexen
Zusammenfassung Es wurde die Reaktion zwischenL-Arabinose und hydratisierten Uranylsalzen in wäßriger Lösung untersucht und kristalline Komplexe des Typs UO2(L-Arabinose)X 2 · 2 H2O mitX=Cl–, Br– und NO 3 – isoliert und charakterisiert. Wie aus markanten Ähnlichkeiten der Komplexe mit den bekannten Verbindungen Ca(L-Arabinose)X 2 · 4 H2O und Mg(L-Arabinose)X 2 · 4 H2O (X=Cl– oder Br–) abzuleiten ist, bindet das UO 2 2+ -Ion mit zweiL-Arabinose Einheiten, wobei sich durch die O1,O5-Koordination des ersten und die O3,O4-Koordination des zweiten Moleküls eine sechs-koordinierte Geometrie um das Uranylion [ohne direkte U-X (X=Cl–, Br– oder NO 3 – ) Wechselwirkung] ausbildet. Die intermolekularen Wasserstoffbrücken zeigen nach der Wechselwirkung mit dem Uranylion eine Umgruppierung. In der freienL-Arabinose ist das -Anomere vorherrschend, in den Urankomplexen hingegen das -Anomere.相似文献
4.
Chengqun Song Tao Gao Huilei Han Mingjie Wan You Yu 《Journal of Molecular Structure》2008,870(1-3):65-71
Electronic structure and spectroscopic properties for the ground electronic states of CH, SiH, GeH and SnH molecules were obtained using the multiconfigurational self-consistent field followed by spin–orbit multireference multistate perturbation theory. Spin–orbit splitting calculations for ground states of the four molecules were carried out with model core potential (MCP) and all-electron (AE) methods. MCP results are compared with corresponding AE values to estimate the accuracy of the saving cost MCP calculations. The potential energy curves, calculated for the Ω states CH(X12Π1/2 and X22Π3/2), SiH(X12Π1/2 and X22Π3/2), GeH(X12Π1/2 and X22Π3/2) and SnH(X12Π1/2 and X22Π3/2) using the MCP method, were fitted to analytical potential energy function using Murrell–Sorbie potential energy function. Based on the analytical potential energy function, force constants and spectroscopic constants for the Ω states were obtained. 相似文献
5.
The properties of alkylbenzenes were estimated, using the contributions of the σ bonds, the conjugated π bond and the steric effect in alkylbenzene molecule. And a novel bond orbital-connection matrix, conjugated π bond orbital-connection matrix in aromatic molecules, was proposed. The eigenvalues of the conjugated π bond orbital-connection matrix can well express the contribution of the conjugated π bond to the properties of aromatic molecules. Using this eigenvalue together with the parameters proposed in our early works, the bond orbital-connection matrix method was extended successfully to the QSPR studies of alkylbenzenes and a general model was obtained to evaluate the thermochemical properties of alkylbenzenes, that is,
p(alkylbenzene)=aNC–C+b∑X1CC+cNC–H+d∑X1CH+eSZ/E+k∑X1π,