********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: c-C6H8Fe(CO)3 * Name: cyclohexadiene-iron-tricarbonyl * Edge: O 1s * Alpha Formula: C9FeH8O3 * Data Source: Hitchcock * Filename: fj-0ookk.os * Ref. Code: WRH92 * Write Date: 93/06/10 * Reference: Organometallics 11 (92) 2559 * Source and Purity: Strem * Acquisition Mode: EELS, 2 deg, 2500 eV CRE mode, 0.7 eV fwhm *-------------------------------------------------------------- * No. of Spectra: 3 name1- 0fjos. name2- 0fjo-ox. name3- 0fjo-ox.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 5.211760E+02 5.745560E+03 5.744980E+03 -1.138392E-02 5.214200E+02 5.789770E+03 5.789190E+03 2.468021E-04 5.216650E+02 5.767850E+03 5.767042E+03 -1.788209E-03 5.219090E+02 5.713330E+03 5.712246E+03 -1.056257E-02 5.221540E+02 5.708240E+03 5.708492E+03 -8.810048E-03 5.223980E+02 5.829800E+03 5.830128E+03 1.877049E-02 5.226430E+02 5.724250E+03 5.722963E+03 -7.906416E-04 5.228870E+02 5.742550E+03 5.740833E+03 5.402994E-03 5.231320E+02 5.593240E+03 5.591708E+03 -2.280824E-02 5.233760E+02 5.531820E+03 5.531879E+03 -3.263003E-02 5.236210E+02 5.732660E+03 5.733486E+03 1.143262E-02 5.238650E+02 5.704320E+03 5.705304E+03 8.129811E-03 5.241100E+02 5.731350E+03 5.733166E+03 1.638475E-02 5.243540E+02 5.502770E+03 5.504861E+03 -2.816139E-02 5.245990E+02 5.466080E+03 5.467340E+03 -3.338341E-02 5.248430E+02 5.589070E+03 5.589927E+03 -5.622766E-03 5.250880E+02 5.634990E+03 5.635553E+03 6.286482E-03 5.253320E+02 5.648120E+03 5.647995E+03 1.134535E-02 5.255770E+02 5.524070E+03 5.523763E+03 -1.175130E-02 5.258210E+02 5.486770E+03 5.486797E+03 -1.687734E-02 5.260660E+02 5.472780E+03 5.473454E+03 -1.712640E-02 5.263100E+02 5.482070E+03 5.482965E+03 -1.267716E-02 5.265550E+02 5.561720E+03 5.561527E+03 6.010020E-03 5.267990E+02 5.413940E+03 5.414271E+03 -2.184960E-02 5.270440E+02 5.520720E+03 5.522387E+03 2.924733E-03 5.272880E+02 5.505680E+03 5.506434E+03 2.120177E-03 5.275330E+02 5.476740E+03 5.473558E+03 -2.163243E-03 5.277770E+02 5.487560E+03 5.486187E+03 2.918366E-03 5.280220E+02 5.400830E+03 5.398390E+03 -1.268599E-02 5.282660E+02 5.389190E+03 5.388344E+03 -1.227945E-02 5.285110E+02 5.482380E+03 5.476626E+03 8.398541E-03 5.287550E+02 5.305020E+03 5.300355E+03 -2.545274E-02 5.290000E+02 5.437970E+03 5.432013E+03 4.160725E-03 5.292440E+02 5.384740E+03 5.378906E+03 -4.312469E-03 5.294890E+02 5.357390E+03 5.348024E+03 -8.197322E-03 5.297330E+02 5.358270E+03 5.340235E+03 -7.335417E-03 5.299780E+02 5.331310E+03 5.284185E+03 -1.640922E-02 5.302220E+02 5.521190E+03 5.395210E+03 8.934325E-03 5.304670E+02 5.677750E+03 5.413312E+03 1.513768E-02 5.307110E+02 5.552100E+03 5.180099E+03 -3.045987E-02 5.309560E+02 5.627720E+03 5.267959E+03 -9.884211E-03 5.312000E+02 5.611280E+03 5.353723E+03 1.024825E-02 5.314450E+02 5.477980E+03 5.332273E+03 8.295044E-03 5.316890E+02 5.482880E+03 5.411659E+03 2.711016E-02 5.319340E+02 5.489760E+03 5.455734E+03 3.865696E-02 5.321780E+02 5.592650E+03 5.574920E+03 6.567014E-02 5.324230E+02 6.015130E+03 6.005168E+03 1.567945E-01 5.326670E+02 7.066730E+03 7.060083E+03 3.766356E-01 5.329120E+02 9.211560E+03 9.205101E+03 8.211277E-01 5.331560E+02 1.261570E+04 1.261254E+04 1.525762E+00 5.334010E+02 1.662900E+04 1.662527E+04 2.355140E+00 5.336460E+02 2.042810E+04 2.042565E+04 3.140756E+00 5.338900E+02 2.119470E+04 2.119216E+04 3.301157E+00 5.341350E+02 2.000470E+04 2.000435E+04 3.058828E+00 5.343790E+02 1.680800E+04 1.680633E+04 2.402237E+00 5.346240E+02 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3.715257E-01 5.441590E+02 6.632860E+03 6.585248E+03 3.925292E-01 5.444040E+02 6.683800E+03 6.636313E+03 4.054438E-01 5.446480E+02 6.808710E+03 6.765062E+03 4.343560E-01 5.448930E+02 6.633240E+03 6.591892E+03 4.010588E-01 5.451370E+02 6.876870E+03 6.837542E+03 4.540588E-01 5.453820E+02 6.982260E+03 6.944157E+03 4.784153E-01 5.456260E+02 7.175920E+03 7.137630E+03 5.206596E-01 5.458710E+02 7.052390E+03 7.013378E+03 4.974376E-01 5.461150E+02 7.072510E+03 7.037269E+03 5.047332E-01 5.463600E+02 7.202110E+03 7.166355E+03 5.337152E-01 5.466040E+02 7.316240E+03 7.280021E+03 5.595084E-01 5.468490E+02 7.375640E+03 7.340688E+03 5.743882E-01 5.470930E+02 7.447830E+03 7.411867E+03 5.914233E-01 5.473380E+02 7.311520E+03 7.275187E+03 5.656322E-01 5.475820E+02 7.408790E+03 7.372083E+03 5.879640E-01 5.478270E+02 7.434640E+03 7.399480E+03 5.959827E-01 5.480710E+02 7.562020E+03 7.523559E+03 6.239135E-01 5.483160E+02 7.654140E+03 7.617767E+03 6.456973E-01 5.485600E+02 7.588050E+03 7.552460E+03 6.345983E-01 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6.904180E+03 6.867631E+03 5.404835E-01 5.536950E+02 6.809810E+03 6.773826E+03 5.234847E-01 5.539400E+02 6.795170E+03 6.759753E+03 5.229248E-01 5.541840E+02 6.759640E+03 6.724410E+03 5.179710E-01 5.544290E+02 6.782930E+03 6.747054E+03 5.249748E-01 5.546730E+02 6.723150E+03 6.686629E+03 5.148492E-01 5.549180E+02 6.679530E+03 6.642483E+03 5.080875E-01 5.551620E+02 6.718890E+03 6.682676E+03 5.186941E-01 5.554070E+02 6.624330E+03 6.588953E+03 5.017126E-01 5.556510E+02 6.588070E+03 6.553525E+03 4.967338E-01 5.558960E+02 6.510070E+03 6.475549E+03 4.829949E-01 5.561400E+02 6.444330E+03 6.409687E+03 4.717420E-01 5.563850E+02 6.550100E+03 6.515334E+03 4.958406E-01 5.566290E+02 6.542740E+03 6.508200E+03 4.966876E-01 5.568740E+02 6.575440E+03 6.541345E+03 5.058429E-01 5.571180E+02 6.381480E+03 6.347829E+03 4.682780E-01 5.573630E+02 6.436550E+03 6.403134E+03 4.819976E-01 5.576070E+02 6.281460E+03 6.247940E+03 4.523281E-01 5.578520E+02 6.356610E+03 6.322986E+03 4.701133E-01 5.580960E+02 6.341900E+03 6.308232E+03 4.693826E-01 5.583410E+02 6.226280E+03 6.192910E+03 4.479353E-01 5.585850E+02 6.162470E+03 6.129398E+03 4.371542E-01 5.588300E+02 6.245510E+03 6.212736E+03 4.566432E-01 5.590740E+02 6.249910E+03 6.216654E+03 4.597548E-01 5.593190E+02 6.187330E+03 6.153520E+03 4.490572E-01 5.595630E+02 6.266280E+03 6.231918E+03 4.675153E-01 5.598080E+02 6.198870E+03 6.164234E+03 4.558777E-01 5.600520E+02 6.189620E+03 6.154840E+03 4.562418E-01 5.602970E+02 6.299860E+03 6.264936E+03 4.812375E-01 5.605410E+02 6.357900E+03 6.323205E+03 4.955428E-01 5.607860E+02 6.216110E+03 6.182099E+03 4.687700E-01 5.610300E+02 6.213510E+03 6.180181E+03 4.706698E-01 5.612750E+02 6.259510E+03 6.226630E+03 4.825449E-01 5.615190E+02 6.129730E+03 6.096467E+03 4.580136E-01 5.617640E+02 6.144040E+03 6.110391E+03 4.631836E-01 5.620080E+02 6.094480E+03 6.060447E+03 4.551819E-01 5.622530E+02 6.116110E+03 6.082581E+03 4.620413E-01 5.624970E+02 6.177900E+03 6.144887E+03 4.771690E-01 5.627420E+02 6.062910E+03 6.030416E+03 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