********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: C4H6Fe(CO)3 * Name: butadiene-iron-tricarbonyl * Edge: Fe 2p * Alpha Formula: C7FeH6O3 * Data Source: Hitchcock * Filename: fs-0fell.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: 2 name1- 0fsl45. name2- 0fsl.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 6.980000E+02 8.454757E+03 1.694808E-02 6.981757E+02 8.429035E+03 -1.397298E-02 6.983514E+02 8.485610E+03 7.839008E-02 6.985272E+02 8.363304E+03 -9.730300E-02 6.987029E+02 8.314354E+03 -1.631338E-01 6.988786E+02 8.418214E+03 2.037588E-04 6.990543E+02 8.359864E+03 -7.974571E-02 6.992300E+02 8.406732E+03 -1.809116E-03 6.994058E+02 8.206663E+03 -2.946414E-01 6.995815E+02 8.244038E+03 -2.309894E-01 6.997572E+02 8.326756E+03 -9.914818E-02 6.999329E+02 8.314962E+03 -1.092967E-01 7.001086E+02 8.390599E+03 1.203785E-02 7.002844E+02 8.374446E+03 -4.635275E-03 7.004601E+02 8.357075E+03 -2.315587E-02 7.006358E+02 8.395375E+03 4.212910E-02 7.008115E+02 8.385047E+03 3.421890E-02 7.009872E+02 8.315120E+03 -6.349880E-02 7.011630E+02 8.455496E+03 1.557041E-01 7.013387E+02 8.310200E+03 -5.569068E-02 7.015144E+02 8.310210E+03 -4.805776E-02 7.016901E+02 8.308158E+03 -4.353069E-02 7.018658E+02 8.352953E+03 3.171753E-02 7.020416E+02 8.167363E+03 -2.408911E-01 7.022173E+02 8.203247E+03 -1.791237E-01 7.023930E+02 8.233701E+03 -1.255165E-01 7.025687E+02 8.277654E+03 -5.146185E-02 7.027444E+02 8.324800E+03 2.747541E-02 7.029202E+02 8.164952E+03 -2.066996E-01 7.030959E+02 8.369782E+03 1.108949E-01 7.032716E+02 8.245009E+03 -7.031962E-02 7.034473E+02 8.318938E+03 4.929233E-02 7.036230E+02 8.280164E+03 -1.773921E-03 7.037988E+02 8.299905E+03 3.581562E-02 7.039745E+02 8.347049E+03 1.149834E-01 7.041502E+02 8.396950E+03 1.983925E-01 7.043259E+02 8.368813E+03 1.634436E-01 7.045016E+02 8.332631E+03 1.162543E-01 7.046774E+02 8.182458E+03 -1.040734E-01 7.048531E+02 8.417449E+03 2.605531E-01 7.050288E+02 8.210938E+03 -4.550395E-02 7.052045E+02 8.237405E+03 2.400452E-03 7.053802E+02 8.117003E+03 -1.730233E-01 7.055560E+02 8.149883E+03 -1.153751E-01 7.057317E+02 8.274131E+03 8.137330E-02 7.059074E+02 8.052656E+03 -2.481041E-01 7.060831E+02 8.255844E+03 6.897221E-02 7.062589E+02 8.174950E+03 -4.655842E-02 7.064346E+02 8.109013E+03 -1.393789E-01 7.066103E+02 8.173423E+03 -3.351717E-02 7.067860E+02 8.268147E+03 1.186623E-01 7.069617E+02 8.268000E+03 1.261874E-01 7.071375E+02 8.197541E+03 2.638884E-02 7.073132E+02 8.199958E+03 3.780014E-02 7.074889E+02 8.272844E+03 1.568673E-01 7.076646E+02 8.227729E+03 9.569819E-02 7.080161E+02 8.185350E+03 4.639696E-02 7.081918E+02 8.249577E+03 1.523947E-01 7.083675E+02 8.375441E+03 3.528001E-01 7.085432E+02 8.268981E+03 1.976673E-01 7.087189E+02 8.522198E+03 5.932828E-01 7.088947E+02 8.692366E+03 8.619487E-01 7.090704E+02 9.015713E+03 1.365586E+00 7.092461E+02 9.386322E+03 1.942058E+00 7.094218E+02 9.921328E+03 2.771107E+00 7.095975E+02 1.022367E+04 3.243776E+00 7.097733E+02 1.048047E+04 3.646876E+00 7.099490E+02 1.087247E+04 4.257879E+00 7.101247E+02 1.067930E+04 3.970470E+00 7.103004E+02 1.083528E+04 4.219359E+00 7.104761E+02 1.064508E+04 3.936293E+00 7.106519E+02 1.055912E+04 3.813306E+00 7.108276E+02 1.135180E+04 5.041854E+00 7.110033E+02 1.237459E+04 6.625429E+00 7.111790E+02 1.341988E+04 8.244802E+00 7.113547E+02 1.443119E+04 9.813036E+00 7.115305E+02 1.483408E+04 1.044509E+01 7.117062E+02 1.488438E+04 1.053420E+01 7.118819E+02 1.446195E+04 9.894562E+00 7.120576E+02 1.345967E+04 8.360164E+00 7.122333E+02 1.259025E+04 7.029609E+00 7.124091E+02 1.166862E+04 5.617499E+00 7.125848E+02 1.085373E+04 4.369165E+00 7.127605E+02 1.042681E+04 3.719145E+00 7.129362E+02 9.840158E+03 2.821846E+00 7.131119E+02 9.409259E+03 2.164630E+00 7.132877E+02 9.338910E+03 2.064431E+00 7.134634E+02 8.972848E+03 1.506745E+00 7.136391E+02 8.813878E+03 1.269099E+00 7.138148E+02 8.791701E+03 1.243027E+00 7.139905E+02 8.806080E+03 1.273540E+00 7.141663E+02 8.780342E+03 1.241931E+00 7.143420E+02 8.797883E+03 1.277365E+00 7.145177E+02 8.753103E+03 1.216213E+00 7.146934E+02 8.640534E+03 1.049892E+00 7.148691E+02 8.746189E+03 1.221987E+00 7.150449E+02 8.743233E+03 1.225652E+00 7.152206E+02 8.584012E+03 9.867213E-01 7.153963E+02 8.712402E+03 1.194287E+00 7.155720E+02 8.742611E+03 1.249469E+00 7.157477E+02 8.553022E+03 9.630868E-01 7.159235E+02 8.555481E+03 9.750785E-01 7.160992E+02 8.574401E+03 1.012680E+00 7.162749E+02 8.559431E+03 9.975781E-01 7.164506E+02 8.469319E+03 8.655135E-01 7.166263E+02 8.811802E+03 1.406899E+00 7.168021E+02 8.621147E+03 1.118284E+00 7.169778E+02 8.633899E+03 1.146390E+00 7.171535E+02 8.476063E+03 9.086202E-01 7.173292E+02 8.404807E+03 8.056790E-01 7.175049E+02 8.402060E+03 8.095242E-01 7.176807E+02 8.416777E+03 8.406236E-01 7.178564E+02 8.500871E+03 9.800381E-01 7.180321E+02 8.570975E+03 1.097707E+00 7.182078E+02 8.456563E+03 9.272286E-01 7.183835E+02 8.434452E+03 9.008623E-01 7.185593E+02 8.513752E+03 1.033004E+00 7.187350E+02 8.265080E+03 6.523582E-01 7.189107E+02 8.509789E+03 1.043264E+00 7.190864E+02 8.404856E+03 8.872869E-01 7.192621E+02 8.379995E+03 8.565476E-01 7.194379E+02 8.320147E+03 7.709938E-01 7.196136E+02 8.393672E+03 8.943228E-01 7.197893E+02 8.335953E+03 8.120555E-01 7.199650E+02 8.406952E+03 9.315279E-01 7.201407E+02 8.500681E+03 1.086733E+00 7.203165E+02 8.328263E+03 8.244915E-01 7.204922E+02 8.354450E+03 8.737649E-01 7.206679E+02 8.420854E+03 9.862152E-01 7.208436E+02 8.467875E+03 1.068302E+00 7.210193E+02 8.628084E+03 1.328285E+00 7.211951E+02 8.785098E+03 1.583434E+00 7.213708E+02 8.850731E+03 1.695089E+00 7.215465E+02 8.892533E+03 1.769337E+00 7.217222E+02 9.152044E+03 2.186193E+00 7.218979E+02 9.285095E+03 2.404298E+00 7.220737E+02 9.498974E+03 2.749830E+00 7.222494E+02 9.533874E+03 2.813691E+00 7.224251E+02 9.727240E+03 3.127296E+00 7.226008E+02 9.878109E+03 3.374137E+00 7.227766E+02 9.948535E+03 3.494308E+00 7.229523E+02 9.897494E+03 3.422959E+00 7.231280E+02 9.930403E+03 3.484030E+00 7.233037E+02 1.014581E+04 3.833225E+00 7.234794E+02 1.012933E+04 3.816487E+00 7.236552E+02 1.054294E+04 4.479154E+00 7.238309E+02 1.071780E+04 4.765020E+00 7.240066E+02 1.098057E+04 5.190045E+00 7.241823E+02 1.070182E+04 4.759007E+00 7.243580E+02 1.071875E+04 4.795427E+00 7.245338E+02 1.065540E+04 4.704817E+00 7.247095E+02 1.031275E+04 4.171989E+00 7.248852E+02 9.944378E+03 3.598037E+00 7.250609E+02 9.931181E+03 3.586353E+00 7.252366E+02 9.517980E+03 2.940730E+00 7.254124E+02 9.448037E+03 2.838834E+00 7.255881E+02 9.296852E+03 2.608019E+00 7.257638E+02 9.153294E+03 2.389138E+00 7.259395E+02 8.925767E+03 2.036832E+00 7.261152E+02 8.988766E+03 2.145528E+00 7.262910E+02 8.852050E+03 1.937108E+00 7.264667E+02 8.874075E+03 1.980745E+00 7.266424E+02 8.774197E+03 1.830664E+00 7.268181E+02 8.593589E+03 1.552118E+00 7.269938E+02 8.614704E+03 1.594214E+00 7.271696E+02 8.474521E+03 1.379702E+00 7.273453E+02 8.542587E+03 1.496492E+00 7.275210E+02 8.592493E+03 1.584451E+00 7.276967E+02 8.534965E+03 1.501353E+00 7.278724E+02 8.508441E+03 1.467595E+00 7.280482E+02 8.500505E+03 1.463439E+00 7.282239E+02 8.446886E+03 1.386438E+00 7.283996E+02 8.394000E+03 1.310552E+00 7.285753E+02 8.479323E+03 1.455140E+00 7.287510E+02 8.306520E+03 1.187809E+00 7.289268E+02 8.467098E+03 1.452618E+00 7.291025E+02 8.510828E+03 1.530972E+00 7.292782E+02 8.238827E+03 1.104870E+00 7.294539E+02 8.359693E+03 1.306453E+00 7.296296E+02 8.400092E+03 1.379507E+00 7.298054E+02 8.479108E+03 1.514386E+00 7.299811E+02 8.393182E+03 1.385420E+00 7.301568E+02 8.542294E+03 1.632602E+00 7.303325E+02 8.664806E+03 1.837362E+00 7.305082E+02 8.709948E+03 1.918330E+00 7.306840E+02 8.489917E+03 1.574423E+00 7.308597E+02 8.671245E+03 1.873663E+00 7.310354E+02 8.546572E+03 1.682410E+00 7.312111E+02 8.466367E+03 1.562355E+00 7.313868E+02 8.653550E+03 1.871302E+00 7.315626E+02 8.593987E+03 1.784364E+00 7.317383E+02 8.480274E+03 1.610403E+00 7.319140E+02 8.721265E+03 2.006134E+00 7.320897E+02 8.399122E+03 1.497174E+00 7.322654E+02 8.320694E+03 1.379647E+00 7.324412E+02 8.551160E+03 1.758790E+00 7.326169E+02 8.204432E+03 1.209645E+00 7.327926E+02 8.449082E+03 1.611821E+00 7.329683E+02 8.491070E+03 1.688020E+00 7.331440E+02 8.303622E+03 1.394775E+00 7.333198E+02 8.497407E+03 1.715497E+00 7.334955E+02 8.438604E+03 1.629375E+00 7.336712E+02 8.457507E+03 1.668468E+00 7.338469E+02 8.285638E+03 1.399921E+00 7.340226E+02 8.263114E+03 1.372124E+00 7.341984E+02 8.135447E+03 1.174617E+00 7.343741E+02 8.356589E+03 1.540104E+00 7.345498E+02 8.230692E+03 1.345374E+00 7.347255E+02 8.422401E+03 1.663626E+00 7.349012E+02 8.349606E+03 1.554621E+00 7.350770E+02 8.087341E+03 1.139216E+00 7.352527E+02 8.228089E+03 1.375310E+00 7.354284E+02 8.400415E+03 1.662660E+00 7.356041E+02 8.261805E+03 1.446978E+00 7.357798E+02 8.166292E+03 1.300918E+00 7.359556E+02 8.093725E+03 1.191919E+00 7.361313E+02 8.169225E+03 1.322731E+00 7.363070E+02 8.194028E+03 1.371472E+00 7.364827E+02 8.268566E+03 1.500879E+00 7.366584E+02 8.247973E+03 1.476085E+00 7.368342E+02 8.284157E+03 1.543393E+00 7.370099E+02 8.127218E+03 1.297304E+00 7.371856E+02 8.173162E+03 1.380439E+00 7.373613E+02 8.126515E+03 1.313250E+00 7.375370E+02 8.105301E+03 1.287334E+00 7.377128E+02 8.127225E+03 1.331510E+00 7.378885E+02 8.101473E+03 1.298203E+00 7.380642E+02 8.027108E+03 1.185805E+00 7.382399E+02 8.064868E+03 1.255754E+00 7.384156E+02 8.174193E+03 1.442233E+00 7.385914E+02 8.219050E+03 1.523876E+00 7.387671E+02 7.929537E+03 1.060975E+00 7.389428E+02 7.876049E+03 9.823061E-01 7.391185E+02 8.000404E+03 1.193444E+00 7.392943E+02 8.129756E+03 1.412876E+00 7.394700E+02 8.034250E+03 1.265713E+00 7.396457E+02 8.086094E+03 1.358860E+00 7.398214E+02 8.129634E+03 1.438519E+00 7.399971E+02 8.074003E+03 1.356313E+00 7.401729E+02 8.101729E+03 1.410196E+00 7.403486E+02 7.983934E+03 1.226350E+00 7.405243E+02 7.889962E+03 1.081313E+00 7.407000E+02 7.929897E+03 1.155116E+00 7.408757E+02 8.066405E+03 1.386924E+00 7.410515E+02 8.117194E+03 1.478643E+00 7.412272E+02 7.932832E+03 1.185540E+00 7.414029E+02 8.084282E+03 1.442065E+00 7.415786E+02 7.978949E+03 1.278186E+00 7.417543E+02 7.947271E+03 1.234871E+00 7.419301E+02 7.931229E+03 1.217154E+00 7.421058E+02 7.949961E+03 1.256439E+00 7.422815E+02 7.901845E+03 1.186107E+00 7.424572E+02 7.896664E+03 1.186171E+00 7.426329E+02 7.922622E+03 1.237344E+00 7.428087E+02 8.064673E+03 1.479167E+00 7.429844E+02 7.864184E+03 1.158541E+00 7.431601E+02 7.970586E+03 1.341929E+00 7.433358E+02 7.954118E+03 1.323493E+00 7.435115E+02 7.737100E+03 9.752978E-01 7.436873E+02 7.672107E+03 8.769053E-01 7.438630E+02 7.886758E+03 1.238555E+00 7.440387E+02 7.979542E+03 1.399873E+00 7.442144E+02 7.805028E+03 1.121197E+00 7.443901E+02 7.850600E+03 1.204823E+00 7.445659E+02 7.720862E+03 9.996585E-01 7.447416E+02 7.833219E+03 1.193374E+00 7.449173E+02 7.868086E+03 1.259461E+00 7.450930E+02 7.812579E+03 1.176531E+00 7.452687E+02 8.048308E+03 1.574065E+00 7.454445E+02 7.753498E+03 1.096215E+00 7.456202E+02 7.764962E+03 1.123715E+00 7.457959E+02 7.750380E+03 1.108214E+00 7.459716E+02 7.935134E+03 1.422051E+00 7.461473E+02 7.655447E+03 9.684740E-01 7.463231E+02 7.872613E+03 1.336068E+00 7.464988E+02 7.792963E+03 1.212997E+00 7.466745E+02 7.815673E+03 1.259196E+00 7.468502E+02 7.760538E+03 1.176585E+00 7.470259E+02 7.726479E+03 1.128811E+00 7.472017E+02 7.891779E+03 1.411192E+00 7.473774E+02 7.922069E+03 1.470079E+00 7.475531E+02 7.683847E+03 1.083977E+00 7.477288E+02 7.792204E+03 1.272222E+00 7.479045E+02 7.826124E+03 1.337140E+00 7.480803E+02 7.659077E+03 1.068675E+00 7.482560E+02 7.745707E+03 1.221048E+00 7.484317E+02 7.620249E+03 1.021403E+00 7.486074E+02 7.670422E+03 1.113315E+00 7.489589E+02 7.763937E+03 1.285974E+00 7.491346E+02 7.754020E+03 1.278167E+00 7.493103E+02 7.755761E+03 1.289742E+00 7.494860E+02 7.792775E+03 1.360008E+00 7.496617E+02 7.823553E+03 1.419944E+00 7.498375E+02 7.642763E+03 1.127688E+00 7.500132E+02 7.705349E+03 1.240557E+00 7.501889E+02 7.637413E+03 1.136052E+00 7.503646E+02 7.526059E+03 9.591137E-01 7.505403E+02 7.524090E+03 9.644148E-01 7.507161E+02 7.552117E+03 1.019745E+00 7.508918E+02 7.642444E+03 1.179048E+00 7.510675E+02 7.620710E+03 1.151444E+00 7.512432E+02 7.724533E+03 1.333431E+00 7.514189E+02 7.558130E+03 1.064255E+00 7.515947E+02 7.502984E+03 9.807608E-01 7.517704E+02 7.705395E+03 1.327634E+00 7.519461E+02 7.670744E+03 1.278435E+00 7.521218E+02 7.703908E+03 1.342609E+00 7.522975E+02 7.473747E+03 9.663066E-01 7.524733E+02 7.669441E+03 1.302410E+00 7.526490E+02 7.696844E+03 1.357012E+00 7.528247E+02 7.664794E+03 1.312089E+00 7.530004E+02 7.595136E+03 1.204132E+00 7.531761E+02 7.487308E+03 1.032135E+00 7.533519E+02 7.610179E+03 1.246756E+00 7.535276E+02 7.469397E+03 1.019392E+00