13478-20-1Relevant articles and documents
Thorpe, T. E.,Hambly, F. J.
, p. 759 - 760 (1889)
Chloro(trifluorophosphane)gold(I): [Au(PF3)Cl]
Schoedel, Frauke,Bolte, Michael,Wagner, Matthias,Lerner, Hans-Wolfram
, p. 652 - 654 (2006)
X-ray quality crystals of [Au(PF3)Cl] (orthorhombic, Pnma) are obtained from a toluene / pentane solution at 6 °C. According to the result of the X-ray structural analysis, [Au(PF3)Cl] contains an almost linear F3P-Au-Cl u
Thermal behavior of ferrous diffuorodioxophosphates
Vast,Semmoud
, p. 1489 - 1493 (1994)
Difluorodioxophosphates may be used as ceramic phosphate precursor, and their thermal behaviours are very important. In this paper we study by TG and DTA the thermal stability for iron(II) salt. In argon atmosphere, we obtain in a first time the melting of salt at 240°C then the classical breaking up into solid orthophosphate and POF3 exhaust. If the sample of iron(II) difluorodioxophosphate is heating in air, we do not obtain the melting phenomena, but at the same temperature an exothermic phenomenon that conducts to the formation of iron(III). We observe a mass increase. By IR analysis, we can show that this oxidation is obtained without change of difluorodioxophosphate structure.
Crystal structure and spectroscopic investigations of POF3
Feller, Michael,Lux, Karin,Kornath, Andreas
, p. 53 - 56 (2014)
Phosphoryl fluoride was characterized by Raman spectroscopy and X-ray diffraction analysis. The X-ray structure was obtained by in-situ crystallization. Phosphoryl fluoride crystallizes in the trigonal space group Pβar{3}μ1 with two formula units in the unit cell. In the crystal structure zigzag chains are observed which are formed by intermolecular P-O contacts. The Raman spectra of neat and matrix isolated POF3 display an extra line, which indicates intermolecular interaction in the solid state. Therefore quantum chemically calculation of a POF3 oligomer was performed. The theoretical calculation indicates that the extra Raman line is caused by side splitting of the P-O valence vibration.
Lange, W.,Livingston, R.
, p. 1280 - 1281 (1950)
Dillon, Keith B.,Nisbet, Martin P.,Waddington, Thomas C.
, (1978)
The gas-phase on-line production of phosphoryl halides, POX3 and their identification by infrared spectroscopy
Allaf, Abdul W.
, p. 921 - 926 (1998)
A new route has been devised, leading to the production of POX3 molecules where X = F, Br and I by an on-line process using phosphoryl chloride, POCl3 as a starting material passed over heated sodium fluoride, NaF, potassium bromide, KBr and potassium iodide, KI at 535, 690 and 480°C, respectively. The products have been characterised by the infrared (IR) spectra of their vapours. The low resolution gas-phase Fourier transform infrared spectra reported for the first time show strong bands centered at 1416.6, 1312.9, 1297.9 and 1285 cm-1, assigned to ν1(a1), the O=P stretching fundamental of POF3, POCl3, POBr3 and POI3, respectively.
Dillon, Keith B.,Nisbet, Martin P.,Waddington, Thomas C.
, (1979)
Decomposition of fluorophosphoryl diazide: A joint experimental and theoretical study
Li, Dingqing,Li, Hongmin,Zhu, Bifeng,Zeng, Xiaoqing,Willner, Helge,Beckers, Helmut,Neuhaus, Patrik,Grote, Dirk,Sander, Wolfram
, p. 6433 - 6439 (2015/04/21)
The photolytic and thermal decomposition of fluorophosphoryl diazide, FP(O)(N3)2, was studied using matrix isolation spectroscopy. Upon ArF laser photolysis (λ = 193 nm), FPO and a new geminal azido nitrene FP(O)(N3)N were identified using matrix IR spectroscopy. The nitrene shows a triplet ground state with the zero-field parameters D/hc = 1.566 cm-1 and E/hc = 0.005 cm-1. Further decomposition of the nitrene into FPO was observed under an irradiation of λ > 335 nm. In contrast, no nitrene but only FPO was identified after flash vacuum pyrolysis of the diazide. To reveal the decomposition mechanism, quantum chemical calculations on the potential energy surface (PES) of the diazide using DFT methods were performed. On the singlet PES four conformers of the nitrene were predicted. The two conformers (syn and anti) showing intramolecular Nnitrene...Nα,azide interactions are much lower in energy (ca. 40 kJ mol-1, B3LYP/6-311+G(3df)) than the other two exhibiting Nnitrene...O interactions. syn/anti refers to the relative orientation of the PO bond and the N3 group. The interconversion of these species and the decomposition into FPO via a novel three-membered ring diazo intermediate cyclo-FP(O)N2 were computationally explored. The calculated low dissociation barrier of 45 kJ mol-1 (B3LYP/6-311+G(3df)) of this cyclic intermediate rationalizes why it could not be detected in our experiments. This journal is
Matrix isolation and theoretical study of the reaction of substituted phosphines with CrCl2O2
Delson, Adam J.,Ault, Bruce S.
, p. 13786 - 13791 (2008/10/09)
The reactions between CrO2Cl2 and a series of substituted phosphines have been investigated using matrix isolation infrared spectroscopy. For all of the phosphines except PF3, twin jet co-deposition of the two reagents into argon matrices at 14 K initially led to the formation of weak bands due to the corresponding phosphine oxide. For all of the phosphines, subsequent irradiation with light of λ > 300 nm led to the growth of a number of intense new bands that have been assigned to the phosphine oxide complexed to CrCl2O, following an oxygen atom transfer reaction. Gas-phase, merged jet reactions prior to matrix deposition led to a significant yield of the uncomplexed phosphine oxide. Theoretical calculations at the B3LYP/6-311++g(d,2p) level were carried out in support of the experimental work, to support product band assignments and clarify the nature of the molecular complexes.
