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Geert O. A. Janssens Bart G. Baekelandt Helge Toufar Wilfried J. Mortier Robert A. Schoonheydt 《International journal of quantum chemistry》1995,56(4):317-326
Energetic and physical aspects of the intuitive (mapping) relations between independent (normal) charge polarization patterns and nuclear vibration modes are derived within the atoms-in-molecules (AIM ) electronegativity equalization method (EEM ) formulation of the charge sensitivity analysis (CSA ). The concepts are demonstrated with calculations on homologous series of small organic molecules. © 1995 John Wiley & Sons, Inc. 相似文献
56.
The synthesis of undoped as well as Yb or Er-doped CaF2 nanocrystals using a reverse micelle method is reported. X-ray powder diffraction and transmission electron microscopy analysis showed that the products were single phased and rather monodispersed with an average particles size around 20 nm. The emission spectra and fluorescence decay times of both Yb3+ and Er3+ rare earths (RE) ions in CaF2 nanoparticles are presented. The particles size is increased by heating the as-obtained nanoparticles at different temperatures. The effect of annealing on the optical properties of the two RE ions in CaF2 is also investigated. 相似文献
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[reaction: see text] If employed in THF at 0 degrees C, LTMP metalates meta-anisic acid at the doubly activated position. In contrast, n-BuLi/t-BuOK deprotonates position C-4 preferentially at low temperature. Functionalization at C-6 requires protection of the C-2 site beforehand. As a result of these findings, a new mechanism is proposed for the heteroatom-directed ortholithiation of aromatic compounds. 相似文献
58.
R. Mortier C. Vandecasteele J. Hoste F. den Hartog 《Journal of Radioanalytical and Nuclear Chemistry》1986,105(1):47-56
The determination of boron in magnesium oxide using the10B/p, /7Be,10B/d, n/7Be, and10B/d, n/11C reactions is described. Lithium interferes the nuclear reactions leading to beryllium-7. Combination of a proton and deuteron irradiation, each followed by measurement of the induced beryllium-7 activity, allows a simultaneous determination of boron and lithium. The10B/d, n/11C reaction is free from nuclear interferences. The boron concentration ranges from 1.5 to 850 g g–1. The results obtained by the two methods are in good agreement.Senior Research Associate of the Belgian National Fund for Scientific Research. 相似文献
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Roeffaers MB Ameloot R Bons AJ Mortier W De Cremer G de Kloe R Hofkens J De Vos DE Sels BF 《Journal of the American Chemical Society》2008,130(41):13516-13517
The catalytic performance of microporous materials such as zeolites is determined not only by the active sites' molecular architecture, but also by the organization of the surrounding pores with varying diameter, shape, and directionality. These pores control transport of reagents and products and induce shape selectivity. Rather than being ideal single crystals, zeolites often have complex 3-dimensional morphologies, comprising intergrowths and various defect types. Here, the underlying pore architecture of the hexagonal facet of an individual zeolite ZSM-5 crystal is successfully determined by electron beam scattering diffraction and is correlated with the initial reactivity toward the acid-catalyzed oligomerization of furfuryl alcohol using polarized fluorescence microscopy. 相似文献
60.
The preparation of the title compounds involves the introduction of the required Me3SiCC and trichlorosilyl groups at the termini of the alkyl chain via derivatization of easily accessible and inexpensive materials/reagents. Trichloro[ω-(trimethylsilyl)alkynyl]silanes are useful for the linkage to a hydroxylated silicon surface for multilayer formation and for further chemical modification of the tail group of the monolayer. 相似文献