Synthese,Kristallstruktur und spektroskopische Charakterisierung von Tetraphosphorhexaoxid-monoselenid,P4O6Se

Synthesis, Crystal Structure, and Spectroscopic Characterization of Tetraphosphorus Hexaoxide Monoselenide, P₄O₆Se P₄O₆Se has been synthesized by photochemical reaction between P₄O₆ and elemental selenium in CS₂ in presence of iodine as a catalyst. Single crystals form at purification via sublimation. The compound (m. p. 46°C) crystallizes in the monoclinic space group P2₁/c (no. 14) with a = 1 051.8(2), b = 652.9(1), c = 1 178.6(2) pm, β = 109.29(1)°, Z = 4. Within the limits of experimental error, the molecules exhibit C_3v symmetry. IR, Raman, and ³¹P n.m.r. (solution) spectra of the compound are reported and discussed. The geometry of the Molecule as determined by theoretical methods (SCF level) is in good agreement with the experimental results.