SINGLE-CRYSTAL AND HIGH-RESOLUTION X-RAY-DIFFRACTION STUDIES AND RAMAN-SPECTRUM OF A PHOSPHORUS(V) CHLORIDE COMPLEX CONTAINING A SINGLE BROMIDE ION, P3CL14BR
Pn. Gates et al., 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, (17), 1995, pp. 2719-2722
The solid-state structure of the compound of empirical formula P3Cl14B
r, has been investigated hy single-crystal and high-resolution powder
diffraction techniques. The results of the structural study are correl
ated with the Raman spectra of P3Cl14Br and metastable PCl5, Refinemen
t in tetragonal space group 14, with a = 8.739(2), c = 12.320(1) Angst
rom, Z = 2 and R = 0.058 yielded a structure composed of two PCl4+ tet
rahedra of C-s symmetry, one PCl6- octahedron of C-4v symmetry. and on
e Br-. Rietveld refinement of powder data was carried out in 14 and 14
/m. The Raman spectrum of the same crystal used for single crystal X-r
ay analysis was found to be strikingly similar to that of metastable P
Cl5 with vibrational degeneracies lifted. Metastable PCl5 and P3Cl14Br
are structurally very similar.