Crystal structure control

Onuma N Masuda F Hirano M. and Woda K. (1979) Crystal structure control on trace element partition in molluscan shell formation. Geochemical Jour. 13, 187-189. 

NMR ( ) have shovm the silicate solutions have such a multitude of silica forms that it is not clear how crystal structure control is achieved. 

Matsuhisa Y., Goldsmith J.R. and Clayton R.N., 1979, Oxygen isotope fractionation in the systems quartz-albite-anorthite-water. Geochim. Cotmor/iini. Acta 43, 1131-1140. Matsui A., Onuma N., Nagasawa H, Hlguchi H. and Banno S., 1977, Crystal structure control in trace element partition between crystal and magma. BulL Sac. Fr. Mineral. 

Molden can display molecular geometries in a variety of formats, including lines, tubes, ball and stick, ribbons, and CPK. The user has some control over colors and sizes. Molden also has features designed for the display of proteins and crystal structures. The display can be exported as postscript, VRML, Povray, and image files. It can also be configured as a chemical mime viewer. 

WebLab Viewer gives a very-high-quality display suitable for publication and presentation. Molecules can be displayed as lines, sticks, ball and stick, CPK, and polyhedrons. In addition, different atoms within the same structure may be displayed in different ways. Text can be added to the display as well as labeling parts of the structure in a variety of ways. The user has control over colors, radii, and display quality. The program can also replicate a unit cell to display a crystal structure. Several types of molecular surfaces can be displayed. 

We begin by looking at the smallest scale of controllable structural feature - the way in which the atoms in the metals are packed together to give either a crystalline or a glassy (amorphous) structure. Table 2.2 lists the crystal structures of the pure metals at room temperature. In nearly every case the metal atoms pack into the simple crystal structures of face-centred cubic (f.c.c.), body-centred cubic (b.c.c.) or close-packed hexagonal (c.p.h.). 

The novel highly substituted spiro[4.4]nonatrienes 98 and 99 are produced by a [3+2+2+2] cocyclization with participation of three alkyne molecules and the (2 -dimethylamino-2 -trimethylsilyl)ethenylcarbene complex 96 (Scheme 20). This transformation is the first one ever observed involving threefold insertion of an alkyne and was first reported in 1999 by de Meijere et al. [81]. The structure of the product was eventually determined by X-ray crystal structure analysis of the quaternary ammonium iodide prepared from the regioisomer 98 (Ar=Ph) with methyl iodide. Interestingly, these formal [3+2+2+2] cycloaddition products are formed only from terminal arylacetylenes. In a control experiment with the complex 96 13C-labeled at the carbene carbon, the 13C label was found only at the spiro carbon atom of the products 98 and 99 [42]. 

A possible layered precursor to the layered nanoproduct conversion mechanism is thus proposed. The silver clusters formed at the initial heating stage by the partial decomposition of AgSR serve as nuclei at further reaction stages, and their distribution naturally inherits the layered pattern of the precursor. The following growth is mainly controlled by the atom concentration and atom diffusion path, which are both constrained by the crystal structure of the precursor [9]. 

Titania photocatalyst is used for air and water purification, photo-splitting of water to produce hydrogen, odor control and disinfectant. Crystal structure and crystallite size of titania particles are one of the most important factors that affect on the photoactivity. Photoactivity of anatase is higher than that of rutile, and increases with crystallite size [1]. Therefore, to increase photoactivity, it is desirable to find a route for the synthrais of the pure anatase titania with large crystallite size. 

In this work, flame spray pyrolysis was applied to the synthesis of titania particles to control the crystal structure and crystallite size and compared with the particle prepared by the conventional spray pyrolysis... 

The polymer = 8.19 dlg in hexafluoro-2-propanol, HFIP, solution) in Figs 1 and 2 is prepared on photoirradiation by a 500 W super-high-pressure Hg lamp for several hours and subjected to the measurements without purification. The nmr peaks in Fig. 1 (5 9.36, 8.66 and 8.63, pyrazyl 7.35 and 7.23, phenylene 5.00, 4.93, 4.83 and 4.42, cyclobutane 4.05 and 1.10, ester) correspond precisely to the polymer structure which is predicted from the crystal structure of the monomer. The outstanding sharpness of all the peaks in this spectrum indicates that the photoproduct has few defects in its chemical structure. The X-ray patterns of the monomer and polymer in Fig. 2 show that they are nearly comparable to each other in crystallinity. These results indicate a strictly crystal-lattice controlled process for the four-centre-type photopolymerization of the [l OEt] crystal. 

On the other hand, the crystallization process of diolefin compounds often plays a significant role in determining their topochemical behaviour, by changing their crystal structure or by forming solvent inclusion complexes. Furthermore, topochemical photoreactions of crystals with )8-type packing are accompanied by thermal processes under moderate control by the reacting crystal lattice (see p. 140). These factors seriously complicate the whole reaction scheme. 

Vaterite is thermodynamically most unstable in the three crystal structures. Vaterite, however, is expected to be used in various purposes, because it has some features such as high specific surface area, high solubility, high dispersion, and small specific gravity compared with the other two crystal systems. Spherical vaterite crystals have already been reported in the presence of divalent cations [33], a surfactant [bis(2-ethylhexyl)sodium sulfate (AOT)] [32], poly(styrene-sulfonate) [34], poly(vinylalcohol) [13], and double-hydrophilic block copolymers [31]. The control of the particle size of spherical vaterite should be important for application as pigments, fillers and dentifrice. 

Studies performed on CdS [282, 283] have revealed the importance of the microstructure, i.e., crystal structure, crystallite size, and geometrical surface area, in both the control of band structure and the concentration and mobility of charges, in relation to the photocatalytic performance of the photocatalyst. It has been shown also that the solubility product of CdS colloids prepared from acetate buffer aqueous solutions of suitable precursors increases from 7.2x 10 for large particles to about 10 for small (< 2.5 nm) particle colloids, this increase invoking a positive shift on the cathodic corrosion potential [284]. 

Functional Aspects of Hydrocolloids in Controlling Crystal Structure in Foods... 

Properties such as body, texture, smoothness, and chewiness in foods are related to the control of crystal structure. The most common and the most important crystalline materials encountered in foods are sugar and ice. It is necessary to control growth, or increase the size of these crystals, as in ice cream and to prevent their disappearance or solution in the solvent, which is usually water, as in icings. In most instances, characteristic crystalline structure is controlled by formulation, type and ratio of ingredients, manufacturing techniques, and proper use of equipment. 

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