Repulsion energy coefficients

Earlandite structure, 6,849 Edge-coalesced icosahedra eleven-coordinate compounds, 1, 99 repulsion energy coefficients, 1,33,34 Edta — see Acetic acid, ethylenediaminetetra-Effective atomic number concept, 1,16 Effective bond length ratios non-bonding electron pairs, 1,37 Effective d-orbital set, 1,222 Egta — see Acetic acid,... 

Spot tests, 1, 552 Square antiprisms dodecahedra, cubes and, 1, 84 eight-coordinate compounds, 1,83 repulsion energy coefficients, 1, 33, 34 Square planar complexes, 1,191, 204 structure, 1, 37 Square pyramids five-coordinate compounds, 1,39 repulsion energy coefficients. 1,34 Squares... 

Valence shell electron pair repulsion theory, 1,32-39 effective bond length ratios, 1.34 halogenium species, 3, 312 noble gas compounds, 3,312 repulsion energy coefficient, 1, 33 Valency... 

The repulsion energy coefficient X can be separated into the individual ligand repulsion energy coefficients Tf for each ligand ... 

It is predicted that those atoms with the largest individual ligand repulsion energy coefficients, that is those which are the most sterically crowded, will have the longest bond lengths. Differences in repulsion energy can lead to differences in bond length of about 5%. 

Table 1 Repulsion Energy Coefficients, X, for the Most Stable Stereochemistry for Each...

Table 2 Repulsion Energy Coefficients X for Various Stereochemistries Compared with the Repulsion Energy Coefficient X for the Most Stable Stereochemistry of the Same Coordination...

Figure 42 Repulsion-energy coefficient X for [M(bidentate)3] as a function of angle of twist 6 (degrees) and normalized bite b. Broken line corresponds to b = 21/j...

The starting point for the consideration of seven coordination is the consideration of three structures with very similar values for the repulsion energy coefficient X ... 

Figure 72 Repulsion energy coefficient of stereochemistry C relative to stereochemistry A of [M(bidentate)3(unidentate)] as a function of 7 (unidentate/bidentate)...

The two most stable structures, the square antiprism and the dodecahedron, are considered in more detail below. The square antiprism is observed to be much more common than the dodecahedron, in agreement with the above repulsion energy coefficients. 

Figure 84 Repulsion energy coefficients for [M(bidentate)2(unidentate)4] stereochemistries relative to those for stereochemistry A, as a function of normalized bite,. R(unidentate/bidentate) = 1.0...

The differences between the repulsion energy coefficients for these stereochemistries are shown in Figure 103. Compounds of stereochemistries II and III are expected only above b x 0.95,... 

Figure 103 Repulsion energy coefficients, relative to those for isomer I, for the various isomers of [M(bidentate)5], as a function of b...

As for ten- and eleven-coordination, there are no twelve-coordinate complexes containing only unidentate ligands. The most common twelve-coordinate molecules are those of the type [M(bi-dentate)6]. The relevant stereochemistries are shown in Figure 104, and the repulsion energy coefficients listed below ... 

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