Edge inversion

Figure 3 Inversion of ASF3 trough edge inversion via a T-shaped intermediate...

Transition State Model for Edge Inversion at 8-X-3 (X = Group 15 Element) Centers " ... 

Figure 8 The vertex and edge inversion processes for lO-X-3 XL3 (X = Group 15 element) molecules A is the lone pair L are B, C, D...

As Figure 1 shows, the inversion process is visualized as angle deformation motions and called the edge inversion. The T-shaped Cj, transition structure (3) arises from the pyramidal structure of fluorides by simultaneous opening of the F—M—F and F—M—lone pair angles. Therefore, there are three identical reaction channels. The... 

As shown in Table 5, the barriers for PF3 are ca 18 kcal mol larger than that for PH3. This may suggest that electronegative substituents increase inversion barriers. However, it should be noted that the barriers for the edge inversion decrease sharply as the central M atom becomes heavier. As Figure 2 shows, fluorides follow the reverse trend compared with hydrides. As a result, the heavier fluorides such as SbFj and BiF3 invert more easily... 

EDG Inverse electron-demand Diels-Alder reaction... 

Ab initio MO calculations, including contributions of the electron correlation by a second-order Moller-Plesset (MP2) perturbation approach, predict PH3 (Cg to invert by a vertex inversion process through a planar trigonal transition state (Dg, ) rather than by an edge inversion process through a planar, T-shaped transition state (Cgv) [1, 2] for a topological electron density analysis of tricoordinate phosphorus inversion processes, see [3]. 

Why edge inversion Theoretical characterization of the bonding in the transition states for inversion in F NHo ) and FnPHo ) n = 0-3)... 

Keywords Edge inversion Vertex inversion Transition state Recoupled pair bond Recoupled pair bond dyad Generalized valence bond (GVB) theory... 

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