********************* 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 * 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- 0fqo. name2- 0fqo-ox name3- 0fqo-ox.ox * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 5.238129E+02 3.653243E+03 3.653545E+03 -2.526017E-02 5.238993E+02 3.747333E+03 3.747642E+03 9.092005E-03 5.240134E+02 3.771264E+03 3.771605E+03 1.863584E-02 5.241274E+02 3.652664E+03 3.653038E+03 -2.272589E-02 5.242415E+02 3.717493E+03 3.717899E+03 1.423657E-03 5.243556E+02 3.686259E+03 3.686685E+03 -8.740550E-03 5.244697E+02 3.616190E+03 3.616630E+03 -3.277590E-02 5.245837E+02 3.650379E+03 3.650834E+03 -1.957813E-02 5.246978E+02 3.694196E+03 3.694662E+03 -2.942101E-03 5.248119E+02 3.742042E+03 3.742508E+03 1.512829E-02 5.249260E+02 3.667722E+03 3.668188E+03 -1.043190E-02 5.250400E+02 3.622728E+03 3.623194E+03 -2.552051E-02 5.251541E+02 3.682932E+03 3.683384E+03 -3.042460E-03 5.252682E+02 3.731781E+03 3.732216E+03 1.537836E-02 5.253823E+02 3.658602E+03 3.659019E+03 -9.782134E-03 5.254963E+02 3.681566E+03 3.681959E+03 -6.101479E-04 5.256104E+02 3.710301E+03 3.710658E+03 1.062008E-02 5.257245E+02 3.669280E+03 3.669602E+03 -3.063671E-03 5.258386E+02 3.682208E+03 3.682494E+03 2.520374E-03 5.259526E+02 3.664468E+03 3.664705E+03 -2.855021E-03 5.260667E+02 3.670049E+03 3.670236E+03 9.919248E-05 5.261808E+02 3.638105E+03 3.638242E+03 -1.034944E-02 5.262949E+02 3.688874E+03 3.688958E+03 8.741774E-03 5.264089E+02 3.554663E+03 3.554692E+03 -3.823423E-02 5.265230E+02 3.684495E+03 3.684468E+03 9.091851E-03 5.266371E+02 3.609301E+03 3.609219E+03 -1.680643E-02 5.267512E+02 3.607536E+03 3.607388E+03 -1.648371E-02 5.268652E+02 3.701458E+03 3.701243E+03 1.801098E-02 5.269793E+02 3.708297E+03 3.708016E+03 2.140578E-02 5.270934E+02 3.496127E+03 3.495773E+03 -5.342012E-02 5.272075E+02 3.581112E+03 3.580680E+03 -2.212109E-02 5.273215E+02 3.616532E+03 3.616021E+03 -8.525973E-03 5.274356E+02 3.574790E+03 3.574186E+03 -2.249245E-02 5.275497E+02 3.669500E+03 3.668449E+03 1.214646E-02 5.276638E+02 3.624690E+03 3.623311E+03 -3.000694E-03 5.277778E+02 3.612219E+03 3.610533E+03 -6.592205E-03 5.278919E+02 3.549824E+03 3.547904E+03 -2.798666E-02 5.280060E+02 3.600344E+03 3.598239E+03 -9.037619E-03 5.281201E+02 3.572295E+03 3.570136E+03 -1.810227E-02 5.282341E+02 3.666555E+03 3.664378E+03 1.652599E-02 5.283482E+02 3.548839E+03 3.546440E+03 -2.462310E-02 5.284623E+02 3.563843E+03 3.560963E+03 -1.846537E-02 5.285764E+02 3.659866E+03 3.656576E+03 1.665271E-02 5.286904E+02 3.611021E+03 3.607392E+03 5.674914E-05 5.288045E+02 3.620199E+03 3.616505E+03 4.281058E-03 5.289186E+02 3.536178E+03 3.532344E+03 -2.480727E-02 5.290327E+02 3.610281E+03 3.606289E+03 2.571117E-03 5.291467E+02 3.570800E+03 3.566581E+03 -1.064236E-02 5.292608E+02 3.541384E+03 3.536525E+03 -2.040827E-02 5.293749E+02 3.564175E+03 3.558246E+03 -1.168314E-02 5.294890E+02 3.639648E+03 3.631613E+03 1.548755E-02 5.296030E+02 3.640107E+03 3.628793E+03 1.544711E-02 5.297171E+02 3.703830E+03 3.686991E+03 3.719863E-02 5.298312E+02 3.597052E+03 3.571035E+03 -3.247564E-03 5.299453E+02 3.717574E+03 3.676525E+03 3.539390E-02 5.300593E+02 3.696144E+03 3.631933E+03 2.043342E-02 5.301734E+02 3.712452E+03 3.615301E+03 1.545886E-02 5.302875E+02 3.885988E+03 3.746649E+03 6.333359E-02 5.304016E+02 3.896012E+03 3.709311E+03 5.096389E-02 5.305156E+02 3.832988E+03 3.600171E+03 1.294912E-02 5.306297E+02 3.889955E+03 3.619767E+03 2.091157E-02 5.307438E+02 3.960431E+03 3.667680E+03 3.898702E-02 5.308578E+02 3.933955E+03 3.637375E+03 2.912646E-02 5.309719E+02 3.814150E+03 3.532264E+03 -7.449880E-03 5.310860E+02 3.835781E+03 3.583630E+03 1.185779E-02 5.312001E+02 3.860156E+03 3.646954E+03 3.543547E-02 5.313141E+02 3.830150E+03 3.658307E+03 4.045162E-02 5.314282E+02 3.764550E+03 3.631920E+03 3.198947E-02 5.315423E+02 3.789931E+03 3.691019E+03 5.405740E-02 5.316564E+02 3.701777E+03 3.630099E+03 3.326105E-02 5.317704E+02 3.694312E+03 3.643266E+03 3.892356E-02 5.318845E+02 3.742553E+03 3.706336E+03 6.240904E-02 5.319986E+02 3.826446E+03 3.800379E+03 9.695536E-02 5.321127E+02 3.739068E+03 3.719979E+03 6.920073E-02 5.322267E+02 3.774399E+03 3.760170E+03 8.451307E-02 5.323408E+02 3.998544E+03 3.987725E+03 1.667418E-01 5.324549E+02 4.221285E+03 4.212847E+03 2.481007E-01 5.325690E+02 4.585624E+03 4.578742E+03 3.797354E-01 5.326830E+02 5.094388E+03 5.088548E+03 5.627663E-01 5.327971E+02 5.758732E+03 5.753545E+03 8.012231E-01 5.329112E+02 6.507434E+03 6.502768E+03 1.069759E+00 5.330253E+02 7.332935E+03 7.328768E+03 1.365717E+00 5.331393E+02 8.394894E+03 8.391198E+03 1.746111E+00 5.332534E+02 9.211331E+03 9.208068E+03 2.038807E+00 5.333675E+02 1.005755E+04 1.005467E+04 2.342121E+00 5.334816E+02 1.063496E+04 1.063246E+04 2.549430E+00 5.335956E+02 1.078338E+04 1.078107E+04 2.603456E+00 5.337097E+02 1.099439E+04 1.099217E+04 2.679804E+00 5.338238E+02 1.071767E+04 1.071539E+04 2.581911E+00 5.339379E+02 9.915663E+03 9.913417E+03 2.296445E+00 5.340519E+02 9.563430E+03 9.561277E+03 2.171633E+00 5.341660E+02 8.761697E+03 8.759846E+03 1.886361E+00 5.342801E+02 8.202867E+03 8.201161E+03 1.687784E+00 5.343942E+02 7.325994E+03 7.324439E+03 1.375622E+00 5.345082E+02 6.656435E+03 6.654896E+03 1.137450E+00 5.346223E+02 6.170041E+03 6.168668E+03 9.647498E-01 5.347364E+02 5.641814E+03 5.640542E+03 7.770849E-01 5.348505E+02 5.308079E+03 5.306752E+03 6.588256E-01 5.349645E+02 5.021756E+03 5.020252E+03 5.574538E-01 5.350786E+02 4.874567E+03 4.873062E+03 5.058366E-01 5.351927E+02 4.922671E+03 4.921342E+03 5.240297E-01 5.353068E+02 4.978253E+03 4.977062E+03 5.448797E-01 5.354208E+02 4.789094E+03 4.787629E+03 4.781733E-01 5.355349E+02 4.800590E+03 4.798479E+03 4.829977E-01 5.356490E+02 4.719038E+03 4.716277E+03 4.545886E-01 5.357631E+02 4.639921E+03 4.636725E+03 4.271258E-01 5.358771E+02 4.589310E+03 4.586041E+03 4.099714E-01 5.359912E+02 4.416412E+03 4.413404E+03 3.492636E-01 5.361053E+02 4.378651E+03 4.375922E+03 3.368245E-01 5.362194E+02 4.404545E+03 4.402009E+03 3.470886E-01 5.363334E+02 4.309765E+03 4.306892E+03 3.140638E-01 5.364475E+02 4.305006E+03 4.301767E+03 3.131801E-01 5.365616E+02 4.321155E+03 4.317409E+03 3.197125E-01 5.366757E+02 4.371519E+03 4.367396E+03 3.385112E-01 5.367897E+02 4.431615E+03 4.426774E+03 3.606617E-01 5.369038E+02 4.432080E+03 4.426425E+03 3.614823E-01 5.370179E+02 4.327593E+03 4.321018E+03 3.247814E-01 5.371320E+02 4.135154E+03 4.127694E+03 2.566821E-01 5.372460E+02 4.125427E+03 4.116743E+03 2.537136E-01 5.373601E+02 4.198520E+03 4.188086E+03 2.801376E-01 5.374742E+02 4.155599E+03 4.142712E+03 2.648756E-01 5.375883E+02 4.290669E+03 4.275021E+03 3.130720E-01 5.377023E+02 4.220959E+03 4.202571E+03 2.881386E-01 5.378164E+02 4.060929E+03 4.039869E+03 2.309734E-01 5.379305E+02 4.120103E+03 4.096395E+03 2.521032E-01 5.380446E+02 4.163766E+03 4.136830E+03 2.674861E-01 5.381586E+02 4.171252E+03 4.140424E+03 2.697104E-01 5.382727E+02 4.141712E+03 4.106396E+03 2.584987E-01 5.383868E+02 4.224313E+03 4.184066E+03 2.871785E-01 5.385009E+02 4.323637E+03 4.278470E+03 3.218346E-01 5.386149E+02 4.205974E+03 4.155861E+03 2.789852E-01 5.387290E+02 4.178062E+03 4.123125E+03 2.682330E-01 5.388431E+02 4.158516E+03 4.098940E+03 2.605348E-01 5.389572E+02 4.324889E+03 4.260948E+03 3.193342E-01 5.390712E+02 4.263565E+03 4.195982E+03 2.970701E-01 5.391853E+02 4.277381E+03 4.207212E+03 3.020190E-01 5.392994E+02 4.267140E+03 4.195641E+03 2.988242E-01 5.394135E+02 4.250669E+03 4.179247E+03 2.939071E-01 5.395275E+02 4.231894E+03 4.161669E+03 2.885660E-01 5.396416E+02 4.111680E+03 4.043708E+03 2.473740E-01 5.397557E+02 4.288793E+03 4.223988E+03 3.126960E-01 5.398698E+02 4.316516E+03 4.255565E+03 3.249105E-01 5.399838E+02 4.274664E+03 4.217890E+03 3.123904E-01 5.400979E+02 4.214962E+03 4.162290E+03 2.934685E-01 5.402120E+02 4.304176E+03 4.255125E+03 3.275592E-01 5.403260E+02 4.306781E+03 4.260204E+03 3.303076E-01 5.404401E+02 4.266194E+03 4.220713E+03 3.171386E-01 5.405542E+02 4.285275E+03 4.239026E+03 3.246131E-01 5.406683E+02 4.307619E+03 4.259428E+03 3.328334E-01 5.407823E+02 4.187836E+03 4.136680E+03 2.899278E-01 5.408964E+02 4.334408E+03 4.280044E+03 3.420631E-01 5.410105E+02 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