Local structure symmetry

Bates, F. S., Muthukumar, M., Wignall, G. D., and Fetters, L. J., Thermodynamics of isotopic polymer mixtures - significance of local structural symmetry. J. Chem. Phys. 89, 535-544 (1988). 

The first step taking place at no/ Nb<0.7 lowers the local structure symmetry due to the formation of the C4V local structure of the [NbOFs] " anion and facilitates the deposition of niobium. Good experimental conditions for the deposition process can be expected in such a case. However, at no/ Nb>l, inhomogeneous niobium deposits containing probably potassium-niobium phase and niobium oxide solid solution were obtained. However, a non-metal deposit could be obtained as well. 

These findings provided a consistent picture of the investigated systems and helped in separating different interaction-induced polarizability mechanisms. Furthermore, the analysis pointed out the important role of the local structure symmetry around the anion to the variation of the isotropic scattering intensity with composition and temperature. 

The methyl group responds to the difference in the three-dimensional electron density distribution about the two nearest ring CC bonds, and the natural bond orders most simply quantifies the key difference in a unified manner across many molecules. At one extreme, 2-methylpropene has essentially localized single and double bonds (03-0b = 1) and a 1010 cm-1 barrier. At the other extreme, when the geometry of the ring has good local C2v symmetry, as in the S0 state of toluene, m-fluorotoluene, p-fluorotoluene, 3,5-difluorotoluene, and 2,6-difluorotoluene, 03 - Ob and the barrier is invariably very small, even for nominal threefold cases. We interpret this equality of bond orders as indicative of essentially equal contributions of the two dominant resonance structures at all a. 

Cluster types. According to 1/1 AC structures, all three i-QCs types contain building blocks with local fivefold symmetry (Fig. 2). Obviously, a search for possible new QC/AC systems should look to precursors in which clusters with pseudoicosahedral symmetries are major structural motifs. 

Minimal END has also been applied to a model system for intramolecular electron transfer. The small triatomic system LiHLi is bent C2V structure. But the linear structure presents an unrestricted Hartree-Fock (UHF) broken symmetry solution with the two charge localized structures... 

The local environment of 1 in this system is structurally reminiscent of some I7 ions that feature a central 1 interacting with three di-iodine molecules with an approximate local C3v symmetry.16... 

Ludwig s (2001) review discusses water clusters and water cluster models. One of the water clusters discussed by Ludwig is the icosahedral cluster developed by Chaplin (1999). A fluctuating network of water molecules, with local icosahedral symmetry, was proposed by Chaplin (1999) it contains, when complete, 280 fully hydrogen-bonded water molecules. This structure allows explanation of a number of the anomalous properties of water, including its temperature-density and pressure-viscosity behaviors, the radial distribution pattern, the change in water properties on supercooling, and the solvation properties of ions, hydrophobic molecules, carbohydrates, and macromolecules (Chaplin, 1999, 2001, 2004). 

With the structure assumed above for the Cr—C6H5X system, the common symmetry element is the cr (xz) plane although the n orbitals of the arene moiety are conveniently classified according to their local C2v symmetry as above, the symmetry classification in the complex is with respect to cr and is given in Table IX. 

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