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• W2029448118 abstract "The effect of non-bonded interactions (inter-ligand repulsion, ILR) on the geometry of eight-coordinate complexes was studied in the range of symmetry coordinates of the two highest symmetry structures, cube and hexagonal bipyramid (HBP). Only a few of the symmetry coordinates that convert the cube and the HBP into lower symmetry [dodecahedron (DD), square antiprism (SAP) and trigonal bicapped prism] were found to be important. ILR was demonstrated as the dominant factor in producing the lower symmetry structures for the closed-shell central atoms and it most certainly plays a very important role in helping or opposing the Jahn-Teller distortions for the orbitally degenerate complexes. The theoretical predictions were compared with a variety of structural data for ML8. The predicted radial distortions were much larger than the experimental values and this was attributed to the electronic factors. Most of the angular distortions for ML8 were explained in terms of a single eu vibration." @default.
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• W2029448118 date "1991-01-01" @default.
• W2029448118 modified "2023-10-05" @default.
• W2029448118 title "Eight coordination—I. Effect of inter-ligand repulsion on the geometry of eight-coordinate complexes" @default.
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• W2029448118 doi "https://doi.org/10.1016/s0277-5387(00)80202-8" @default.
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