Single crystal data

It is important to point out that in the discussion that follows the term "Na coverage" is used this does not imply that the promoter is thought to be present in the form of chemisorbed metallic sodium as it would be in vacuum. The reactive gas atmosphere is expected to lead to the formation of surface compounds of Na, and single crystal data indicate... 

Zn and N K-edge XANES have been used to distinguish the coordination geometries in (1,2-ethanediylidene)-bis(5 -methylhydrazonecarbodithionate) zinc complexes (109). The technique distinguished between tetrahedral species, square pyramidal dimers, and square pyramidal monomers, formed when pyridine was present. These studies were in conjunction with spectroscopic characterization and X-ray single-crystal data where possible.53 The results demonstrated the value of this technique when single crystals could not be obtained. 

Fig. 5 XRD patterns for Sc3CuxZni7 x (x = CM), together with a pattern of pure i-QC (top) from a nominal ScisCuisZ o reaction, and two patterns (bottom) simulated from the single-crystal data of the reported SC3Z1117 and our ScsZnis. (Adapted with permission from [24]. Copyright 2004 American Chemical Society)...

SCHEME 14.5 Different synthetic routes for the preparation of metallacyclocumulene (5). Note The perception of strain energy in the cyclocumulene is so high that initial attempts at publishing the experimental single crystal data of the metallacyclocumulene (5) met with strong resistance from referees (personal comments from Prof. U. Rosenthal). Characterization of the structure computationally helped in gaining acceptance of the structure. 

Single crystal data and X-ray powder patterns were reported by Whitaker [9],... 

McCusker, LB. (1991) Zeolite crystallography, structure determination in the absence of conventional single-crystal data. Acto Cryst., A47, 297-313. 

Smyth J. R., Smith I V., Artioli G., and Kvick A. (1987). Crystal structures of coesite at 15 K and 298 K from neutron and X-ray single crystal data Test of bonding models. J. Phys. Chem., 91 988-992. 

From single crystal data of the magnetic resonance at various angles 6, it is clear from Equations (19) and (20) one may derive the direction of the symmetry axes and the values of qQ in the case of axial symmetry. The NMR lines from a single crystal of axially symmetric a-AluOa with the magnetic field directed along the symmetry axis are shown in Fig. 8. 

The plateau edges on either side of the field ffo = wo/yai are equispaced at a field strength of jre gQ/40yh as one may calculate (S) from Equation (19). The value of 3e gQ/40h calculated from the spectrum is 175 kc. per second in good agreement with the single crystal data of Pound (5) for corundum. 

The ESR spectra of copper(II) dithiophosphate complexes have been extensively studied 90,i2i,i6i,386,407-4is) Solutions and frozen solutions have been studied exhaustively whereas comparatively little single-crystal data is available 159,387) typical solution ESR spectrum is shown in Fig. 11. The high... 

Because of the very different cell dimensions and symmetries of the two guest structures, they could be distinguished trivially using single-crystal data, as their... 

Although there are many features common to synthetic oxides and minerals, fundamental studies of the charge-transfer processes in mixed-valence compounds can only be systematically carried out on synthetic oxides of controlled stoichiometry and impurity concentration. However, with the exception of Seebeck coefficients, transport measurements require single-crystal data if quantitative interpretations are to be made. Nevertheless, conductivity data for polycrystalline samples of cubic phases are useful if the samples are dense and care has been taken to eliminate any segregation of impurities into the grain boundaries. 

The physical properties of the series Ln2Cu04, where Ln = Nd, Sm, Eu, and Gd, were extensively studied during the early to mid-1970 s. The structure of Nd2Cu04 (and Gd2Cu04) was found to be quite different from that of LajCuO Single crystal data for Nd2Cu04 were published (135) in 1975. The structure is shown in Figure 25. 

The first detection of the RP state in PS I single crystals was reported by Kamlowski et al.2il using transient EPR at X-band. Berthold et al.2 3 oriented PS I RCs in the B0 field of the W-band spectrometer. From the analysis of the polarization pattern they reproduced the RP geometry obtained in the single crystal data. High field EPR studies proved to be very useful as shown by Stehlik and coworkers who first used K-band EPR144,284, later the work was extended to a multifrequency approach including W-band by van der Est et al.285 and Zech et al.192. In the latter paper a complete analysis of the structure of the RP P 7o0 A -... 

The structure of Cs yCls has been determined from single crystal data.530 It contains DyCli- octahedra connected by cis corners to form chains, the connecting Dy—Cl—Dy angle being 180°. The heavier lanthanides and yttrium are isostructural. 

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