title: Experimental and theoretical characterization of the hexaazidophosphate(V) ion.
abstract: (PPN)[P(N(3))(6)] (2) was synthesized by the metathesis of Na[P(N(3))(6)] (1) and (PPN)N(3) (PPN(+) = {(Ph(3)P)(2)N}(+)), allowing for the isolation and full characterization of a stable hexaazidophosphate(V) salt by (31)P and (14)N NMR, UV absorption, IR and Raman spectroscopy, elemental and thermal analyses, X-ray diffraction, and Hartree-Fock and density functional theory calculations. The colorless single crystals of 2 are triclinic, space group P1, a = 9.6296(9), b = 9.8158(9), c = 10.1414(10) A, alpha = 92.635(5) degrees , beta = 93.437(5) degrees , gamma = 92.105(4) degrees , and Z = 1. The [P(N(3))(6)](-) ion of 2 is isolated in the solid state and adopts S(6) symmetry both in the crystal and in solution. Thermogravimetric analysis and differential scanning calorimetry measurements reveal a surprising thermal stability of 2 (T(dec) ca. 200 degrees C). No friction sensitivity was encountered.
authors.affiliation: Department of Chemistry, University of Sheffield, Brook Hill, Sheffield, S3 7HF, United Kingdom. p.portius@sheffield.ac.uk
authors.forename: P
authors.initials: P
authors.lastname: Portius
authors.forename: P W
authors.initials: PW
authors.lastname: Fowler
authors.forename: H
authors.initials: H
authors.lastname: Adams
authors.forename: T Z
authors.initials: TZ
authors.lastname: Todorova