3,947 research outputs found

    Trimerization of NaC2N3 to Na3C6N9 in the Solid

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    Sodium dicyanamide NaC2N3 was found to undergo two phase transitions. According to thermal analysis and temperature-dependent X-ray powder diffractometry, the transition of α-NaC2N3 (1a) to ÎČ-NaC2N3 (1b) occurs at 33°C and is displacive. 1a crystallizes in the monoclinic system, space group P21/n (no. 14), with a = 647.7(1), b = 1494.8(3), c = 357.25(7) pm, ÎČ = 93.496(1)°, and Z = 4. The structure was solved from powder diffraction data (Cu Kα1, T = 22°C) using direct methods and it was refined by the Rietveld method. The final agreement factors were wRp = 0.072, Rp = 0.053, and RF = 0.074. 1b crystallizes in the orthorhombic system, space group Pbnm (no. 62), with a = 650.15(5), b = 1495.1(2), c = 360.50(3) pm, and Z = 4. The structure was refined by the Rietveld method using the atomic coordinates of 1a as starting values (Mo Kα1, T = 150°C). The final agreement factors were wRp = 0.044, Rp = 0.034, RF = 0.140. The crystal structures of both polymorphs contain sheets of Na+ and N(CN)2- ions which are in 1a nearly and in 1b exactly coplanar. Above 340°C, 1b trimerizes in the solid to Na3C6N9 (2). 2 crystallizes in the monoclinic system, space group P21/n (no. 14), with a = 1104.82(1), b = 2338.06(3), c = 351.616(3) pm, ÎČ = 97.9132(9)°, and Z = 4. The structure was solved from synchrotron powder diffraction data (λ = 59.733 pm) using direct methods and it was refined by the Rietveld method. The final agreement factors were wRp = 0.080, Rp = 0.059, and RF = 0.080. The compound contains Na+ and the planar tricyanomelaminate C6N93-. The phase transition from 1b to 2 is reconstructive. It occurs in the solid-state without involvement of other phases or intermediates. The crystal structures of 1b and 2 indicate that there is no preorientation of the N(CN)2- in the solid before their trimerization to C6N93-

    From Gray Zones to Red Courts. Soviet Collaboration Trials of Jewish Ghetto Functionaries from Transnistria, 1944–1949

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    A history of Soviet collaboration trials of Jewish ghetto functionaries from the Romanian occupation zone Transnistria

    Conserving quasiparticle calculations for small metal clusters

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    A novel approach for GW-based calculations of quasiparticle properties for finite systems is presented, in which the screened interaction is obtained directly from a linear response calculation of the density-density correlation function. The conserving nature of our results is shown by explicit evaluation of the ff-sum rule. As an application, energy renormalizations and level broadenings are calculated for the closed-shell Na9+_9^+ and Na21+_{21}^+ clusters, as well as for Na4_4. Pronounced improvements of conserving approximations to RPA-level results are obtained

    The primary steps of photosynthesis in bacteriorhodopsin

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    Retrieval and molecule sensitivity studies for the global ozone monitoring experiment and the scanning imaging absorption spectrometer for atmospheric chartography

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    The Global Ozone Monitoring Experiment (GOME) and the SCanning Imaging Absorption spectroMeter for Atmospheric CHartographY (SCIAMACHY) are diode based spectrometers that will make atmospheric constituent and aerosol measurements from European satellite platforms beginning in the mid 1990's. GOME measures the atmosphere in the UV and visible in nadir scanning, while SCIAMACHY performs a combination of nadir, limb, and occultation measurements in the UV, visible, and infrared. A summary is presented of the sensitivity studies that were performed for SCIAMACHY measurements. As the GOME measurement capability is a subset of the SCIAMACHY measurement capability, the nadir, UV, and visible portion of the studies is shown to apply to GOME as well
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