Single-Crystal and High-Resolution X-ray Diffraction Studies and Raman Spectrum of a Phosphorus(V) Chloride Complex Containing a Single Bromide Ion, P3Cl14Br
Journal of the Chemical Society: Dalton Transactions
The solid-state structure of the compound of empirical formula P3Cl14Br, has been investigated by single-crystal and high-resolution powder diffraction techniques. The results of the structural study are correlated with the Raman spectra of P3Cl14Br and metastable PCl5. Refinement in tetragonal space group l4, with a= 8.739(2), c= 12.320(1)Å, Z= 2 and R= 0.058 yielded a structure composed of two PCl4+ tetrahedra of Cs symmetry, one PCl6– octahedron of C4vsymmetry, and one Br–. Rietveld refinement of powder data was carried out in l4 and l4/m. The Raman spectrum of the same crystal used for single crystal X-ray analysis was found to be strikingly similar to that of metastable PCl5 with vibrational degeneracies lifted. Metastable PCl5and P3Cl14Br are structurally very similar.
Copyright © 1995, Royal Society of Chemistry.
Royal Society of Chemistry
Gates, Peter N.; Knachel, Howard; Finch, Arthur; Fratini, Albert; Fitch, Andrew N.; Nardone, Ottavio; Otto, James C.; and Snider, Daniel A., "Single-Crystal and High-Resolution X-ray Diffraction Studies and Raman Spectrum of a Phosphorus(V) Chloride Complex Containing a Single Bromide Ion, P3Cl14Br" (1995). Chemistry Faculty Publications. 61.