********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: C4H6Fe(CO)3 * Name: butadiene-iron-tricarbonyl * Edge: O 1s * Alpha Formula: C7FeH6O3 * Data Source: Hitchcock * Filename: fs-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- 0fso5. name2- 0fo-ox name3- 0fo-ox.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 5.215333E+02 8.946000E+03 8.941203E+03 1.486311E-02 5.216725E+02 8.882000E+03 8.877202E+03 4.803617E-03 5.218116E+02 9.000000E+03 8.995200E+03 2.751879E-02 5.219508E+02 8.759000E+03 8.755396E+03 -1.420163E-02 5.220900E+02 8.787000E+03 8.786592E+03 -7.119767E-03 5.222291E+02 8.773000E+03 8.775787E+03 -7.602022E-03 5.223683E+02 8.838000E+03 8.840208E+03 5.461877E-03 5.225074E+02 8.688000E+03 8.686346E+03 -2.078439E-02 5.226466E+02 8.800000E+03 8.794482E+03 1.508668E-04 5.227858E+02 8.800000E+03 8.793042E+03 1.352339E-03 5.229249E+02 8.819000E+03 8.811666E+03 6.166249E-03 5.230641E+02 8.769000E+03 8.761291E+03 -1.446091E-03 5.232032E+02 8.798000E+03 8.793504E+03 5.813744E-03 5.233424E+02 8.685000E+03 8.684327E+03 -1.238935E-02 5.234816E+02 8.719000E+03 8.722099E+03 -4.129894E-03 5.236207E+02 8.700000E+03 8.703478E+03 -6.026455E-03 5.237599E+02 8.724000E+03 8.727856E+03 -1.800432E-04 5.238990E+02 8.567000E+03 8.571528E+03 -2.687705E-02 5.240382E+02 8.539000E+03 8.545585E+03 -3.009435E-02 5.241774E+02 8.647000E+03 8.655641E+03 -8.820736E-03 5.243165E+02 8.786000E+03 8.795342E+03 1.779073E-02 5.244557E+02 8.715000E+03 8.722353E+03 6.099205E-03 5.245948E+02 8.621000E+03 8.626363E+03 -9.734811E-03 5.247340E+02 8.567000E+03 8.571069E+03 -1.824107E-02 5.248732E+02 8.807000E+03 8.810483E+03 2.632477E-02 5.250123E+02 8.707000E+03 8.709898E+03 9.661027E-03 5.251515E+02 8.550000E+03 8.551615E+03 -1.739404E-02 5.252906E+02 8.771000E+03 8.770964E+03 2.355638E-02 5.254298E+02 8.658000E+03 8.656313E+03 4.357544E-03 5.255690E+02 8.606000E+03 8.604663E+03 -3.496259E-03 5.257081E+02 8.525000E+03 8.524465E+03 -1.649199E-02 5.258473E+02 8.664000E+03 8.664268E+03 1.013072E-02 5.259865E+02 8.608000E+03 8.609896E+03 1.784501E-03 5.261256E+02 8.595000E+03 8.598544E+03 1.185294E-03 5.262648E+02 8.705000E+03 8.709616E+03 2.263196E-02 5.264039E+02 8.468000E+03 8.470013E+03 -1.907351E-02 5.265431E+02 8.558000E+03 8.557409E+03 -1.891742E-03 5.266823E+02 8.545000E+03 8.543571E+03 -2.941338E-03 5.268214E+02 8.598000E+03 8.599938E+03 8.650925E-03 5.269606E+02 8.540000E+03 8.545305E+03 2.533495E-04 5.270997E+02 8.597000E+03 8.603138E+03 1.210871E-02 5.272389E+02 8.481000E+03 8.484946E+03 -7.736080E-03 5.273781E+02 8.371000E+03 8.372754E+03 -2.650123E-02 5.275172E+02 8.434000E+03 8.420282E+03 -1.650371E-02 5.276564E+02 8.516000E+03 8.517952E+03 2.523058E-03 5.277955E+02 8.354000E+03 8.349377E+03 -2.639776E-02 5.279347E+02 8.494000E+03 8.484415E+03 -6.429301E-04 5.280739E+02 8.352000E+03 8.342779E+03 -2.471357E-02 5.282130E+02 8.414000E+03 8.405062E+03 -1.206225E-02 5.283522E+02 8.549000E+03 8.538818E+03 1.345991E-02 5.284913E+02 8.598000E+03 8.580081E+03 2.232469E-02 5.286305E+02 8.513000E+03 8.493526E+03 8.170704E-03 5.287697E+02 8.463000E+03 8.446060E+03 1.055358E-03 5.289088E+02 8.531000E+03 8.511828E+03 1.433135E-02 5.290480E+02 8.471000E+03 8.449438E+03 4.527033E-03 5.291871E+02 8.409000E+03 8.390234E+03 -4.703790E-03 5.293263E+02 8.256000E+03 8.238931E+03 -3.052130E-02 5.294655E+02 8.511000E+03 8.476258E+03 1.364727E-02 5.296046E+02 8.503000E+03 8.456123E+03 1.145016E-02 5.297438E+02 8.494000E+03 8.413571E+03 5.215365E-03 5.298829E+02 8.381000E+03 8.248549E+03 -2.307515E-02 5.300221E+02 8.629000E+03 8.395196E+03 4.760860E-03 5.301613E+02 8.813000E+03 8.389386E+03 5.140692E-03 5.303004E+02 9.142000E+03 8.435098E+03 1.479844E-02 5.304396E+02 9.391000E+03 8.347209E+03 3.959666E-04 5.305787E+02 9.723000E+03 8.369592E+03 5.851255E-03 5.307179E+02 9.875000E+03 8.303349E+03 -4.654412E-03 5.308571E+02 9.979000E+03 8.369600E+03 8.699488E-03 5.309962E+02 9.813000E+03 8.344118E+03 5.533185E-03 5.311354E+02 9.356000E+03 8.138731E+03 -3.003215E-02 5.312745E+02 9.095000E+03 8.153204E+03 -2.600462E-02 5.314137E+02 8.833000E+03 8.163169E+03 -2.278941E-02 5.315529E+02 8.672000E+03 8.218815E+03 -1.134821E-02 5.316920E+02 8.654000E+03 8.357021E+03 1.496006E-02 5.318312E+02 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2.010277E+04 2.158457E+00 5.346144E+02 1.760700E+04 1.759571E+04 1.708378E+00 5.347535E+02 1.516100E+04 1.515696E+04 1.270600E+00 5.348927E+02 1.357400E+04 1.356904E+04 9.860444E-01 5.350319E+02 1.230500E+04 1.229396E+04 7.578248E-01 5.351710E+02 1.110400E+04 1.109822E+04 5.438929E-01 5.353102E+02 1.037900E+04 1.037627E+04 4.152844E-01 5.354493E+02 1.008200E+04 1.007210E+04 3.619094E-01 5.355885E+02 9.652000E+03 9.641667E+03 2.857976E-01 5.357277E+02 9.527000E+03 9.510233E+03 2.635297E-01 5.358668E+02 9.343000E+03 9.320996E+03 2.308519E-01 5.360060E+02 9.437000E+03 9.422423E+03 2.505176E-01 5.361451E+02 9.386000E+03 9.374486E+03 2.432848E-01 5.362843E+02 8.968000E+03 8.952765E+03 1.687378E-01 5.364235E+02 8.871000E+03 8.855627E+03 1.526434E-01 5.365626E+02 8.918000E+03 8.890654E+03 1.603492E-01 5.367018E+02 9.017000E+03 9.004913E+03 1.823227E-01 5.368409E+02 8.951000E+03 8.926127E+03 1.695312E-01 5.369801E+02 8.918000E+03 8.883108E+03 1.631803E-01 5.371193E+02 8.795000E+03 8.755947E+03 1.416759E-01 5.372584E+02 8.763000E+03 8.720999E+03 1.367771E-01 5.373976E+02 9.147000E+03 9.096273E+03 2.057530E-01 5.375367E+02 8.888000E+03 8.810550E+03 1.556920E-01 5.376759E+02 8.849000E+03 8.764914E+03 1.488669E-01 5.378151E+02 8.876000E+03 8.765991E+03 1.504533E-01 5.379542E+02 9.004000E+03 8.887734E+03 1.737694E-01 5.380934E+02 8.934000E+03 8.793344E+03 1.581623E-01 5.382325E+02 9.005000E+03 8.841970E+03 1.683098E-01 5.383717E+02 9.105000E+03 8.902766E+03 1.806484E-01 5.385109E+02 9.111000E+03 8.883142E+03 1.785039E-01 5.386500E+02 9.280000E+03 9.017728E+03 2.041298E-01 5.387892E+02 9.474000E+03 9.175179E+03 2.338729E-01 5.389283E+02 9.296000E+03 8.967119E+03 1.977922E-01 5.390675E+02 9.524000E+03 9.175159E+03 2.366443E-01 5.392067E+02 9.561000E+03 9.198850E+03 2.422971E-01 5.393458E+02 9.344000E+03 8.968649E+03 2.022275E-01 5.394850E+02 9.506000E+03 9.141135E+03 2.346749E-01 5.396241E+02 9.460000E+03 9.106469E+03 2.298169E-01 5.397633E+02 9.424000E+03 9.095725E+03 2.292663E-01 5.399025E+02 9.498000E+03 9.193966E+03 2.483417E-01 5.400416E+02 9.359000E+03 9.079842E+03 2.291727E-01 5.401808E+02 9.362000E+03 9.112812E+03 2.364925E-01 5.403199E+02 9.444000E+03 9.211168E+03 2.555870E-01 5.404591E+02 9.470000E+03 9.255664E+03 2.649814E-01 5.405983E+02 9.424000E+03 9.190289E+03 2.545890E-01 5.407374E+02 9.323000E+03 9.070441E+03 2.343862E-01 5.408766E+02 9.346000E+03 9.077076E+03 2.369606E-01 5.410157E+02 9.282000E+03 8.988913E+03 2.224627E-01 5.411549E+02 9.502000E+03 9.185339E+03 2.592144E-01 5.412941E+02 9.540000E+03 9.214960E+03 2.659265E-01 5.414332E+02 9.554000E+03 9.212991E+03 2.669492E-01 5.415724E+02 9.526000E+03 9.190737E+03 2.643182E-01 5.417115E+02 9.637000E+03 9.282239E+03 2.821724E-01 5.418507E+02 9.805000E+03 9.461551E+03 3.158393E-01 5.419899E+02 9.487000E+03 9.151061E+03 2.612994E-01 5.421290E+02 9.432000E+03 9.108370E+03 2.549857E-01 5.422682E+02 9.625000E+03 9.299252E+03 2.907346E-01 5.424073E+02 9.738000E+03 9.425330E+03 3.148125E-01 5.425465E+02 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