Triphenylphosphine: a redetermination

Theoretical studies of 31P NMR spectral properties of phosphanes and related compounds in solution

“…This is in agreement with results from solid state X-ray studies, gas phase electron diffraction measurements and earlier ab initio calculations. 48,49 Fig . 1 shows the structures obtained at the MPW1K/6-31G(d) level and Fig.…”

Novel Syntheses of Mono- and Bisphosphonated Aromatic Phosphanes by Consecutive Pd-Catalyzed P–C Coupling Reactions and Nucleophilic Phosphanylation – X-ray Structure of Ph2P–C6H4–m-PO3Na2 · 5.5 H2O ·iPrOH

“…The results of an X-is coordinated to five water molecules in a trigonal-bipyrray structural analysis are shown in Figures 2 and 3, crystal-amidal arrangement (Na···O distances 2.30Ϫ2.58 Å ), two lographic data are collected in Table 1, and selected bond of the water molecules [O(13), O (14)] form bridges to the lengths and angles are given in the caption to Figure 2. A hexacoordinate Na(2) (Na···O distances 2.36Ϫ2.46 Å ), comparison of the structural parameters of triphenylphos-which in turn is connected to Na(3) and symmetry-equivaphane [20] with those of the isolated diphenylphosphano-lent Na(3a) via two water molecules [O(21a), O(21)] in axial phenyl-m-phosphonate dianion of 3b and its p isomer 3a [7] , positions. Na(3a) is pentacoordinated, with the two axial reveals that the PO 3 2Ϫ group in the p or m position of the positions in a strongly distorted trigonal-bipyramid being aromatic ring system has only marginal influence on the occupied by bridging oxygen atoms [O(21a) and O(12c)].…”

19F,31P,1H NMR and X-ray crystallographic studies of (pentafluorophenyl)3−n (4-pyrazol-1-yl-2,3,5,6-tetrafluorophenyl) n=1,2,3 Phosphines

“…In the case of compound 1 these three angles are ~b I = 58.51(9) ~ ~2 --40.56(9) ~ and r = 9. I8 (8) tallographic Database, CSD [16], yields, for triphenylphosphine (PTRPHE [ 17], PTRPHE01 [ 18], PTRPHE02 [19]), the values 4>1 = 53.280 , 4>2 = 24.15 ~ , and 4>3 = 22.74~ and for tris(pentafluorophenyl)-phosphine (DUTPUD10 [20]) the values are: 4>1 = 56.83~ 4>2 = 41.55~ and 4>3 = 11.10 ~ Concerning 4> values our compound is more similar to tri(pentafluorophenyl)phosphine than to triphenylphosphine.…”