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

Author(s)

Peter N. Gates, Royal Holloway College
Howard Knachel, University of DaytonFollow
Arthur Finch, Royal Holloway College
Albert Fratini, University of DaytonFollow
Andrew N. Fitch, European Synchrotron Radiation Facility
Ottavio Nardone
James C. Otto
Daniel A. Snider

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 C_s symmetry, one PCl₆^– octahedron of C_4vsymmetry, 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

Copyright

Copyright © 1995, Royal Society of Chemistry.

Publisher

Royal Society of Chemistry

Peer Reviewed

yes

Issue

17

eCommons Citation

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.
https://ecommons.udayton.edu/chm_fac_pub/61