Title

Single-Crystal and High-Resolution X-ray Diffraction Studies and Raman Spectrum of a Phosphorus(V) Chloride Complex Containing a Single Bromide Ion, P3Cl14Br

Document Type

Article

Publication Date

1995

Publication Source

Journal of the Chemical Society: Dalton Transactions

Abstract

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.

Inclusive pages

2719-2722

ISBN/ISSN

0368-1769

Publisher

Royal Society of Chemistry

Issue

17

Peer Reviewed

yes