********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: c-C8H8Fe(CO)3 * Name: cyclooctatetraene-iron-tricarbonyl * Edge: O 1s * Alpha Formula: C11FeH8O3 * Data Source: Hitchcock * Filename: fq-0ookk.os * Ref. Code: WRH92 * Write Date: 93/06/10 revised 2025-08-25 * Reference: Organometallics 11 (92) 2559. * Source and Purity: Strem (small O2 signal subtracted) * Acquisition Mode: EELS, 2 deg, 2500 eV CRE mode, 0.7 eV fwhm *-------------------------------------------------------------- * No. of Spectra: 2 name1- 0fqo-ox name2- 0fqo-ox.ox * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 5.238129E+02 3.653545E+03 -2.526017E-02 5.238993E+02 3.747642E+03 9.092005E-03 5.240134E+02 3.771605E+03 1.863584E-02 5.241274E+02 3.653038E+03 -2.272589E-02 5.242415E+02 3.717899E+03 1.423657E-03 5.243556E+02 3.686685E+03 -8.740550E-03 5.244697E+02 3.616630E+03 -3.277590E-02 5.245837E+02 3.650834E+03 -1.957813E-02 5.246978E+02 3.694662E+03 -2.942101E-03 5.248119E+02 3.742508E+03 1.512829E-02 5.249260E+02 3.668188E+03 -1.043190E-02 5.250400E+02 3.623194E+03 -2.552051E-02 5.251541E+02 3.683384E+03 -3.042460E-03 5.252682E+02 3.732216E+03 1.537836E-02 5.253823E+02 3.659019E+03 -9.782134E-03 5.254963E+02 3.681959E+03 -6.101479E-04 5.256104E+02 3.710658E+03 1.062008E-02 5.257245E+02 3.669602E+03 -3.063671E-03 5.258386E+02 3.682494E+03 2.520374E-03 5.259526E+02 3.664705E+03 -2.855021E-03 5.260667E+02 3.670236E+03 9.919248E-05 5.261808E+02 3.638242E+03 -1.034944E-02 5.262949E+02 3.688958E+03 8.741774E-03 5.264089E+02 3.554692E+03 -3.823423E-02 5.265230E+02 3.684468E+03 9.091851E-03 5.266371E+02 3.609219E+03 -1.680643E-02 5.267512E+02 3.607388E+03 -1.648371E-02 5.268652E+02 3.701243E+03 1.801098E-02 5.269793E+02 3.708016E+03 2.140578E-02 5.270934E+02 3.495773E+03 -5.342012E-02 5.272075E+02 3.580680E+03 -2.212109E-02 5.273215E+02 3.616021E+03 -8.525973E-03 5.274356E+02 3.574186E+03 -2.249245E-02 5.275497E+02 3.668449E+03 1.214646E-02 5.276638E+02 3.623311E+03 -3.000694E-03 5.277778E+02 3.610533E+03 -6.592205E-03 5.278919E+02 3.547904E+03 -2.798666E-02 5.280060E+02 3.598239E+03 -9.037619E-03 5.281201E+02 3.570136E+03 -1.810227E-02 5.282341E+02 3.664378E+03 1.652599E-02 5.283482E+02 3.546440E+03 -2.462310E-02 5.284623E+02 3.560963E+03 -1.846537E-02 5.285764E+02 3.656576E+03 1.665271E-02 5.286904E+02 3.607392E+03 5.674914E-05 5.288045E+02 3.616505E+03 4.281058E-03 5.289186E+02 3.532344E+03 -2.480727E-02 5.290327E+02 3.606289E+03 2.571117E-03 5.291467E+02 3.566581E+03 -1.064236E-02 5.292608E+02 3.536525E+03 -2.040827E-02 5.293749E+02 3.558246E+03 -1.168314E-02 5.294890E+02 3.631613E+03 1.548755E-02 5.296030E+02 3.628793E+03 1.544711E-02 5.297171E+02 3.686991E+03 3.719863E-02 5.298312E+02 3.571035E+03 -3.247564E-03 5.299453E+02 3.676525E+03 3.539390E-02 5.300593E+02 3.631933E+03 2.043342E-02 5.301734E+02 3.615301E+03 1.545886E-02 5.302875E+02 3.746649E+03 6.333359E-02 5.304016E+02 3.709311E+03 5.096389E-02 5.305156E+02 3.600171E+03 1.294912E-02 5.306297E+02 3.619767E+03 2.091157E-02 5.307438E+02 3.667680E+03 3.898702E-02 5.308578E+02 3.637375E+03 2.912646E-02 5.309719E+02 3.532264E+03 -7.449880E-03 5.310860E+02 3.583630E+03 1.185779E-02 5.312001E+02 3.646954E+03 3.543547E-02 5.313141E+02 3.658307E+03 4.045162E-02 5.314282E+02 3.631920E+03 3.198947E-02 5.315423E+02 3.691019E+03 5.405740E-02 5.316564E+02 3.630099E+03 3.326105E-02 5.317704E+02 3.643266E+03 3.892356E-02 5.318845E+02 3.706336E+03 6.240904E-02 5.319986E+02 3.800379E+03 9.695536E-02 5.321127E+02 3.719979E+03 6.920073E-02 5.322267E+02 3.760170E+03 8.451307E-02 5.323408E+02 3.987725E+03 1.667418E-01 5.324549E+02 4.212847E+03 2.481007E-01 5.325690E+02 4.578742E+03 3.797354E-01 5.326830E+02 5.088548E+03 5.627663E-01 5.327971E+02 5.753545E+03 8.012231E-01 5.329112E+02 6.502768E+03 1.069759E+00 5.330253E+02 7.328768E+03 1.365717E+00 5.331393E+02 8.391198E+03 1.746111E+00 5.332534E+02 9.208068E+03 2.038807E+00 5.333675E+02 1.005467E+04 2.342121E+00 5.334816E+02 1.063246E+04 2.549430E+00 5.335956E+02 1.078107E+04 2.603456E+00 5.337097E+02 1.099217E+04 2.679804E+00 5.338238E+02 1.071539E+04 2.581911E+00 5.339379E+02 9.913417E+03 2.296445E+00 5.340519E+02 9.561277E+03 2.171633E+00 5.341660E+02 8.759846E+03 1.886361E+00 5.342801E+02 8.201161E+03 1.687784E+00 5.343942E+02 7.324439E+03 1.375622E+00 5.345082E+02 6.654896E+03 1.137450E+00 5.346223E+02 6.168668E+03 9.647498E-01 5.347364E+02 5.640542E+03 7.770849E-01 5.348505E+02 5.306752E+03 6.588256E-01 5.349645E+02 5.020252E+03 5.574538E-01 5.350786E+02 4.873062E+03 5.058366E-01 5.351927E+02 4.921342E+03 5.240297E-01 5.353068E+02 4.977062E+03 5.448797E-01 5.354208E+02 4.787629E+03 4.781733E-01 5.355349E+02 4.798479E+03 4.829977E-01 5.356490E+02 4.716277E+03 4.545886E-01 5.357631E+02 4.636725E+03 4.271258E-01 5.358771E+02 4.586041E+03 4.099714E-01 5.359912E+02 4.413404E+03 3.492636E-01 5.361053E+02 4.375922E+03 3.368245E-01 5.362194E+02 4.402009E+03 3.470886E-01 5.363334E+02 4.306892E+03 3.140638E-01 5.364475E+02 4.301767E+03 3.131801E-01 5.365616E+02 4.317409E+03 3.197125E-01 5.366757E+02 4.367396E+03 3.385112E-01 5.367897E+02 4.426774E+03 3.606617E-01 5.369038E+02 4.426425E+03 3.614823E-01 5.370179E+02 4.321018E+03 3.247814E-01 5.371320E+02 4.127694E+03 2.566821E-01 5.372460E+02 4.116743E+03 2.537136E-01 5.373601E+02 4.188086E+03 2.801376E-01 5.374742E+02 4.142712E+03 2.648756E-01 5.375883E+02 4.275021E+03 3.130720E-01 5.377023E+02 4.202571E+03 2.881386E-01 5.378164E+02 4.039869E+03 2.309734E-01 5.379305E+02 4.096395E+03 2.521032E-01 5.380446E+02 4.136830E+03 2.674861E-01 5.381586E+02 4.140424E+03 2.697104E-01 5.382727E+02 4.106396E+03 2.584987E-01 5.383868E+02 4.184066E+03 2.871785E-01 5.385009E+02 4.278470E+03 3.218346E-01 5.386149E+02 4.155861E+03 2.789852E-01 5.387290E+02 4.123125E+03 2.682330E-01 5.388431E+02 4.098940E+03 2.605348E-01 5.389572E+02 4.260948E+03 3.193342E-01 5.390712E+02 4.195982E+03 2.970701E-01 5.391853E+02 4.207212E+03 3.020190E-01 5.392994E+02 4.195641E+03 2.988242E-01 5.394135E+02 4.179247E+03 2.939071E-01 5.395275E+02 4.161669E+03 2.885660E-01 5.396416E+02 4.043708E+03 2.473740E-01 5.397557E+02 4.223988E+03 3.126960E-01 5.398698E+02 4.255565E+03 3.249105E-01 5.399838E+02 4.217890E+03 3.123904E-01 5.400979E+02 4.162290E+03 2.934685E-01 5.402120E+02 4.255125E+03 3.275592E-01 5.403260E+02 4.260204E+03 3.303076E-01 5.404401E+02 4.220713E+03 3.171386E-01 5.405542E+02 4.239026E+03 3.246131E-01 5.406683E+02 4.259428E+03 3.328334E-01 5.407823E+02 4.136680E+03 2.899278E-01 5.408964E+02 4.280044E+03 3.420631E-01 5.410105E+02 4.232843E+03 3.261385E-01 5.411246E+02 4.190123E+03 3.118137E-01 5.412386E+02 4.228828E+03 3.265687E-01 5.413527E+02 4.229251E+03 3.276524E-01 5.414668E+02 4.180143E+03 3.110451E-01 5.415809E+02 4.228065E+03 3.290915E-01 5.416949E+02 4.183724E+03 3.141857E-01 5.418090E+02 4.218685E+03 3.276028E-01 5.419231E+02 4.198794E+03 3.214293E-01 5.420372E+02 4.222808E+03 3.309357E-01 5.421512E+02 4.297418E+03 3.585112E-01 5.422653E+02 4.227500E+03 3.344701E-01 5.423794E+02 4.214311E+03 3.306889E-01 5.424935E+02 4.316559E+03 3.681350E-01 5.426075E+02 4.327714E+03 3.730465E-01 5.427216E+02 4.297706E+03 3.632576E-01 5.428357E+02 4.291657E+03 3.620251E-01 5.429498E+02 4.264733E+03 3.533373E-01 5.430638E+02 4.242626E+03 3.463680E-01 5.431779E+02 4.306056E+03 3.699485E-01 5.432920E+02 4.308231E+03 3.716517E-01 5.434061E+02 4.381144E+03 3.986185E-01 5.435201E+02 4.338982E+03 3.844855E-01 5.436342E+02 4.370710E+03 3.967428E-01 5.437483E+02 4.292813E+03 3.698475E-01 5.438624E+02 4.449465E+03 4.267199E-01 5.439764E+02 4.359454E+03 3.954966E-01 5.440905E+02 4.300985E+03 3.755395E-01 5.442046E+02 4.299316E+03 3.758671E-01 5.443187E+02 4.336751E+03 3.901609E-01 5.444327E+02 4.347110E+03 3.947825E-01 5.445468E+02 4.490810E+03 4.470274E-01 5.446609E+02 4.576515E+03 4.785587E-01 5.447750E+02 4.423752E+03 4.249234E-01 5.448890E+02 4.363298E+03 4.042534E-01 5.450031E+02 4.624850E+03 4.985867E-01 5.451172E+02 4.544748E+03 4.709001E-01 5.452313E+02 4.501090E+03 4.562295E-01 5.453453E+02 4.513692E+03 4.616500E-01 5.454594E+02 4.614542E+03 4.985884E-01 5.455735E+02 4.524252E+03 4.672621E-01 5.456876E+02 4.451610E+03 4.422388E-01 5.458016E+02 4.530751E+03 4.714218E-01 5.459157E+02 4.417415E+03 4.318640E-01 5.460298E+02 4.638161E+03 5.116204E-01 5.461439E+02 4.656261E+03 5.190038E-01 5.462579E+02 4.629571E+03 5.103887E-01 5.463720E+02 4.607295E+03 5.033513E-01 5.464861E+02 4.586338E+03 4.967839E-01 5.466002E+02 4.583979E+03 4.968591E-01 5.467142E+02 4.610852E+03 5.073722E-01 5.468283E+02 4.577786E+03 4.964800E-01 5.469424E+02 4.631471E+03 5.165695E-01 5.470565E+02 4.661375E+03 5.281657E-01 5.471705E+02 4.759055E+03 5.639662E-01 5.472846E+02 4.705850E+03 5.458801E-01 5.473987E+02 4.615332E+03 5.144671E-01 5.475128E+02 4.741241E+03 5.603496E-01 5.476268E+02 4.752324E+03 5.652211E-01 5.477409E+02 4.676194E+03 5.389464E-01 5.478550E+02 4.709964E+03 5.519208E-01 5.479691E+02 4.699583E+03 5.491273E-01 5.480831E+02 4.746550E+03 5.668136E-01 5.481972E+02 4.752804E+03 5.699601E-01 5.483113E+02 4.803474E+03 5.889687E-01 5.484254E+02 4.696511E+03 5.516803E-01 5.485394E+02 4.700444E+03 5.539962E-01 5.486535E+02 4.832910E+03 6.022170E-01 5.487676E+02 4.853978E+03 6.106524E-01 5.488817E+02 4.767104E+03 5.805377E-01 5.489957E+02 4.783373E+03 5.872580E-01 5.491098E+02 4.753304E+03 5.774294E-01 5.492239E+02 4.874175E+03 6.215073E-01 5.493380E+02 4.863237E+03 6.185111E-01 5.494520E+02 4.845687E+03 6.131520E-01 5.495661E+02 4.894646E+03 6.315464E-01 5.496802E+02 4.874629E+03 6.253063E-01 5.497943E+02 4.837762E+03 6.130483E-01 5.499083E+02 4.881168E+03 6.294582E-01 5.500224E+02 4.939812E+03 6.513102E-01 5.501365E+02 4.872021E+03 6.280067E-01 5.502505E+02 4.904924E+03 6.406643E-01 5.503646E+02 4.803268E+03 6.052658E-01 5.504787E+02 4.839806E+03 6.192219E-01 5.505928E+02 4.872306E+03 6.317351E-01 5.507068E+02 4.986729E+03 6.735060E-01 5.508209E+02 4.892666E+03 6.408180E-01 5.509350E+02 4.699818E+03 5.728495E-01 5.510491E+02 4.769042E+03 5.984773E-01 5.511631E+02 4.644561E+03 5.549240E-01 5.512772E+02 4.702687E+03 5.765882E-01 5.513913E+02 4.693584E+03 5.742413E-01 5.515054E+02 4.800487E+03 6.133245E-01 5.516194E+02 4.632756E+03 5.543238E-01 5.517335E+02 4.567706E+03 5.319951E-01 5.518476E+02 4.612038E+03 5.487309E-01 5.519617E+02 4.563040E+03 5.321344E-01 5.520757E+02 4.590854E+03 5.429699E-01 5.521898E+02 4.521599E+03 5.191383E-01 5.523039E+02 4.509936E+03 5.158746E-01 5.524180E+02 4.643526E+03 5.644873E-01 5.525320E+02 4.612643E+03 5.543575E-01 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