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Maja Ponikvar-Svet Diana N. Zeiger Loryn R. Keating Joel F. Liebman 《Structural chemistry》2013,24(6):2101-2114
The contents of issues 1 and 2 for the calendar year 2013 are summarized in the current review of the journal Structural Chemistry. In addition, a brief thermochemical commentary is added to the summary of each paper. 相似文献
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The contents of issues 3 and 4 of Structural Chemistry from the calendar year 2018 are summarized in the present review. A brief thermochemical commentary and recommendations for future research have been added to the summary of each paper.
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Maja Ponikvar-Svet Diana N. Zeiger Loryn R. Keating Joel F. Liebman 《Structural chemistry》2012,23(6):2019-2037
In the current review of the journal Structural Chemistry, the contents of the issues 1–3 for the calendar year 2012 are related to thermochemistry. A brief thermochemical commentary is added to the summary of each article. 相似文献
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Ultraviolet photoemission spectroscopy in ultrahigh vacuum has been used to study the interaction of H2O with argon-ion-bombarded and annealed TiO2(110) and SrTiO3 (100) surfaces. At low exposure, evidence is found for the presence of the OH free radical on both bombarded and annealed TiO2. At high exposure, a spectrum of slightly perturbed adsorbed H2O is observed, with the a1 molecular orbital shifted 0.5–1 eV toward tighter binding. This suggests that H2O binds to the surface of TiO2 via its a1, in-plane O lone-pair orbital. No evidence is found for OH on the surface of SrTiO3. The spectrum of H2O adsorbed on bombarded SrTiO3 shows both the a1 and b2 molecular orbitals shifted 0.4 toward tighter binding, indicating a more complicated bonding to the surface. For SrTiO3 that has been bombarded and then annealed, the spectrum of adsorbed H2O shows no significant bonding effects. 相似文献
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Maya?Tutughamiarso Mirko?Zeiger Michael?BolteEmail author 《Journal of chemical crystallography》2011,41(8):1150-1153
Abstract
4-Ureidophthalimide or ureido isoindolin-1-one based ligands were shown by NMR spectroscopy and theoretical studies to bind the CG base pairs in the major groove. To examine this hydrogen-bonded complex, we cocrystallized 5-fluorocytosine, 9-methylguanine and 1-(2-methyl-3-oxoisoindolin-5-yl)urea. Two polymorphs of the latter compound were obtained during the cocrystallization attempts. Both crystallized in monoclinic space groups: form Ia in P21/c with cell parameters of a = 11.382(2), b = 6.042(1), c = 14.102(2) ? and β = 96.51(1)°, and form Ib in P21/n with cell parameters of a = 7.092(1), b = 11.643(2), c = 11.580(2) ? and β = 93.48(1)°. An identical molecular conformation of the two polymorphs is observed. Both polymorphs have an R 22(8) N–H···O interaction linking the urea fragments of two molecules to a centrosymmetric dimer. Nevertheless, the crystal packing for both forms is completely different. In Ia, two dimers are connected by two R 21(6) N–H···O bonds simultaneously to a shifted ribbon motif, whereas in Ib the two R 21(6) interactions link two molecules from two different dimers. 相似文献7.
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A. John W. Zeiger D. Scharnweber H. Worch S. Oswald 《Analytical and bioanalytical chemistry》1999,365(1-3):136-141
From the higher fraction of grain boundaries in nanocrystalline substances a different corrosion behaviour in comparison to the conventional polycrystalline material can be expected, which may be utilised for the development of new corrosion resistant alloys. Therefore, the oxidation behaviour of these two different crystallisation states of FeAl8 was compared by means of electrochemical and surface analytical experiments. The oxide films formed after electrochemical passivation were investigated by Auger Electron Spectroscopy. The application of inelastic peak shape analysis by the method of Tougaard showed, that for both materials the oxide layer may be described by a model of a (below the contamination) buried layer with a thickness of only a few nanometers depending on the preparation conditions. Factor Analysis was applied for the evaluation of the differentiated low energy Auger electron spectra (20–100 eV) as a function of depth profiling sputtering time. For both, the nanocrystalline and the polycrystalline material, the inner part of the oxide layer was enriched in Al, whereas the very outer part (surface region) was enriched in Fe. No differences concerning the sputtering time for removal of the oxide layers were found for the two alloys. 相似文献
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