********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: C8H8Fe(CO)3 * Name: Cyclooctatetraeneiron tricarbonyl * Edge: Fe 2p * Alpha Formula: C11FeH8O3 * Data Source: Hitchcock * Filename: fq-0llkk.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- 0fql. name2- 0fql.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 6.989440E+02 3.650093E+03 1.996462E-01 6.991220E+02 3.566575E+03 -1.944779E-01 6.993000E+02 3.630068E+03 1.203824E-01 6.994790E+02 3.622028E+03 9.026842E-02 6.996570E+02 3.531219E+03 -3.395625E-01 6.998350E+02 3.632014E+03 1.557732E-01 7.000140E+02 3.626709E+03 1.388469E-01 7.001920E+02 3.587224E+03 -4.336170E-02 7.003700E+02 3.618342E+03 1.157007E-01 7.005490E+02 3.556781E+03 -1.734055E-01 7.007270E+02 3.569431E+03 -1.036509E-01 7.009050E+02 3.620169E+03 1.505456E-01 7.010840E+02 3.617002E+03 1.439220E-01 7.012620E+02 3.535114E+03 -2.441534E-01 7.014400E+02 3.565023E+03 -9.067553E-02 7.016190E+02 3.513743E+03 -3.306826E-01 7.017970E+02 3.584844E+03 2.266735E-02 7.019750E+02 3.579124E+03 3.532188E-03 7.021540E+02 3.530585E+03 -2.234159E-01 7.023320E+02 3.539375E+03 -1.722028E-01 7.025100E+02 3.518240E+03 -2.663190E-01 7.026890E+02 3.648167E+03 3.736322E-01 7.028670E+02 3.537627E+03 -1.549899E-01 7.030450E+02 3.545471E+03 -1.082844E-01 7.032240E+02 3.496016E+03 -3.402586E-01 7.034020E+02 3.674741E+03 5.380672E-01 7.035810E+02 3.598270E+03 1.746247E-01 7.037590E+02 3.676644E+03 5.650380E-01 7.039370E+02 3.500705E+03 -2.833715E-01 7.041160E+02 3.625640E+03 3.341586E-01 7.042940E+02 3.607479E+03 2.543550E-01 7.044720E+02 3.568688E+03 7.385717E-02 7.046510E+02 3.496638E+03 -2.690262E-01 7.048290E+02 3.555978E+03 2.917052E-02 7.050070E+02 3.521286E+03 -1.316045E-01 7.051860E+02 3.500868E+03 -2.227231E-01 7.053640E+02 3.449757E+03 -4.639619E-01 7.055420E+02 3.537275E+03 -2.763158E-02 7.057210E+02 3.584305E+03 2.110531E-01 7.058990E+02 3.552286E+03 6.311032E-02 7.060770E+02 3.559008E+03 1.046710E-01 7.062560E+02 3.477991E+03 -2.832930E-01 7.064340E+02 3.597338E+03 3.098203E-01 7.066120E+02 3.535797E+03 1.702248E-02 7.067910E+02 3.479323E+03 -2.511091E-01 7.069690E+02 3.551730E+03 1.124939E-01 7.071470E+02 3.567038E+03 1.962722E-01 7.073260E+02 3.517930E+03 -3.595553E-02 7.075040E+02 3.442353E+03 -3.983476E-01 7.076820E+02 3.575241E+03 2.627653E-01 7.078610E+02 3.615952E+03 4.715682E-01 7.080390E+02 3.548839E+03 1.505466E-01 7.082170E+02 3.577493E+03 3.001299E-01 7.083960E+02 3.640262E+03 6.176588E-01 7.085740E+02 3.755549E+03 1.193775E+00 7.087530E+02 3.747406E+03 1.162844E+00 7.089310E+02 3.874946E+03 1.799924E+00 7.091090E+02 3.961820E+03 2.237170E+00 7.092880E+02 4.045502E+03 2.659059E+00 7.094660E+02 4.131792E+03 3.094068E+00 7.096440E+02 4.348604E+03 4.173033E+00 7.098230E+02 4.234987E+03 3.622818E+00 7.100010E+02 4.187961E+03 3.400753E+00 7.101790E+02 4.193936E+03 3.440175E+00 7.103580E+02 4.110442E+03 3.037824E+00 7.105360E+02 4.106009E+03 3.025716E+00 7.107140E+02 4.136907E+03 3.188210E+00 7.108930E+02 4.379934E+03 4.399681E+00 7.110710E+02 4.491533E+03 4.961950E+00 7.112490E+02 4.862403E+03 6.807469E+00 7.114280E+02 5.054931E+03 7.771682E+00 7.116060E+02 5.212297E+03 8.562444E+00 7.117840E+02 5.184981E+03 8.438988E+00 7.119630E+02 5.125523E+03 8.156228E+00 7.121410E+02 4.916398E+03 7.131278E+00 7.123190E+02 4.705970E+03 6.099102E+00 7.124980E+02 4.539035E+03 5.281972E+00 7.126760E+02 4.372258E+03 4.464962E+00 7.128540E+02 4.251622E+03 3.876396E+00 7.130330E+02 4.066795E+03 2.968660E+00 7.132110E+02 4.078231E+03 3.035254E+00 7.133890E+02 3.972336E+03 2.518756E+00 7.135680E+02 3.849382E+03 1.917118E+00 7.137460E+02 3.891398E+03 2.135476E+00 7.139250E+02 3.815229E+03 1.766021E+00 7.141030E+02 3.677502E+03 1.089841E+00 7.142810E+02 3.667305E+03 1.048152E+00 7.144600E+02 3.735087E+03 1.394899E+00 7.146380E+02 3.741298E+03 1.435049E+00 7.148160E+02 3.680588E+03 1.141635E+00 7.149950E+02 3.746142E+03 1.477689E+00 7.151730E+02 3.680181E+03 1.157878E+00 7.153510E+02 3.654166E+03 1.037172E+00 7.155300E+02 3.612003E+03 8.358087E-01 7.157080E+02 3.702809E+03 1.298291E+00 7.158860E+02 3.713065E+03 1.358698E+00 7.160650E+02 3.635563E+03 9.806119E-01 7.162430E+02 3.653367E+03 1.078678E+00 7.164210E+02 3.542460E+03 5.330848E-01 7.166000E+02 3.687309E+03 1.266735E+00 7.167780E+02 3.561913E+03 6.482856E-01 7.169560E+02 3.602015E+03 8.580062E-01 7.171350E+02 3.535330E+03 5.330632E-01 7.173130E+02 3.729102E+03 1.512874E+00 7.174910E+02 3.736424E+03 1.558833E+00 7.176700E+02 3.608056E+03 9.244823E-01 7.178480E+02 3.568978E+03 7.375057E-01 7.180260E+02 3.595600E+03 8.800671E-01 7.182050E+02 3.685637E+03 1.341119E+00 7.183830E+02 3.554117E+03 6.898635E-01 7.185610E+02 3.534109E+03 5.983093E-01 7.187400E+02 3.537765E+03 6.256588E-01 7.189180E+02 3.563935E+03 7.661583E-01 7.190960E+02 3.543429E+03 6.720273E-01 7.192750E+02 3.552253E+03 7.254257E-01 7.194530E+02 3.553108E+03 7.387062E-01 7.196320E+02 3.670605E+03 1.339299E+00 7.198100E+02 3.579766E+03 8.909885E-01 7.199880E+02 3.595987E+03 9.817574E-01 7.201670E+02 3.541318E+03 7.153394E-01 7.203450E+02 3.687531E+03 1.461529E+00 7.205230E+02 3.707691E+03 1.572470E+00 7.207020E+02 3.717356E+03 1.630586E+00 7.208800E+02 3.674383E+03 1.422990E+00 7.210580E+02 3.719346E+03 1.659267E+00 7.212370E+02 3.816706E+03 2.160445E+00 7.214150E+02 3.768274E+03 1.925225E+00 7.215930E+02 3.908067E+03 2.641308E+00 7.217720E+02 3.856383E+03 2.389690E+00 7.219500E+02 4.033585E+03 3.295707E+00 7.221280E+02 4.003480E+03 3.153291E+00 7.223070E+02 4.083423E+03 3.567930E+00 7.224850E+02 4.026018E+03 3.287246E+00 7.226630E+02 3.925002E+03 2.785418E+00 7.228420E+02 3.969461E+03 3.020538E+00 7.230200E+02 3.841864E+03 2.383476E+00 7.231980E+02 4.010159E+03 3.246614E+00 7.233770E+02 4.016506E+03 3.288795E+00 7.235550E+02 4.022609E+03 3.329701E+00 7.237330E+02 4.167819E+03 4.076916E+00 7.239120E+02 4.102846E+03 3.757189E+00 7.240900E+02 4.137001E+03 3.940839E+00 7.242680E+02 4.163532E+03 4.085865E+00 7.244470E+02 4.147546E+03 4.014866E+00 7.246250E+02 4.068286E+03 3.621911E+00 7.248040E+02 4.046402E+03 3.520672E+00 7.249820E+02 3.846427E+03 2.512780E+00 7.251600E+02 3.772292E+03 2.144932E+00 7.253390E+02 3.851214E+03 2.556535E+00 7.255170E+02 3.761706E+03 2.110098E+00 7.256950E+02 3.725753E+03 1.936336E+00 7.258740E+02 3.667817E+03 1.650399E+00 7.260520E+02 3.676234E+03 1.702681E+00 7.262300E+02 3.753189E+03 2.104769E+00 7.264090E+02 3.680391E+03 1.742700E+00 7.265870E+02 3.755675E+03 2.136551E+00 7.267650E+02 3.726464E+03 1.996847E+00 7.269440E+02 3.634728E+03 1.537549E+00 7.271220E+02 3.618899E+03 1.465938E+00 7.273000E+02 3.600892E+03 1.383129E+00 7.274790E+02 3.652024E+03 1.654044E+00 7.276570E+02 3.598699E+03 1.390479E+00 7.278350E+02 3.619985E+03 1.508726E+00 7.280140E+02 3.688904E+03 1.871070E+00 7.281920E+02 3.642823E+03 1.644411E+00 7.283700E+02 3.511405E+03 9.801844E-01 7.285490E+02 3.552607E+03 1.200610E+00 7.287270E+02 3.564728E+03 1.271982E+00 7.289050E+02 3.600242E+03 1.463428E+00 7.290840E+02 3.530419E+03 1.114381E+00 7.292620E+02 3.579216E+03 1.374115E+00 7.294400E+02 3.540571E+03 1.184875E+00 7.296190E+02 3.584472E+03 1.419711E+00 7.297970E+02 3.575304E+03 1.381864E+00 7.299760E+02 3.583167E+03 1.431620E+00 7.301540E+02 3.600737E+03 1.531294E+00 7.303320E+02 3.601009E+03 1.542017E+00 7.305110E+02 3.575666E+03 1.420940E+00 7.306890E+02 3.530683E+03 1.198584E+00 7.308670E+02 3.612431E+03 1.628918E+00 7.310460E+02 3.530398E+03 1.215588E+00 7.312240E+02 3.451414E+03 8.176250E-01 7.314020E+02 3.583288E+03 1.506781E+00 7.315810E+02 3.553908E+03 1.364588E+00 7.317590E+02 3.609622E+03 1.661392E+00 7.319370E+02 3.574493E+03 1.489417E+00 7.321160E+02 3.566125E+03 1.455573E+00 7.322940E+02 3.575167E+03 1.511596E+00 7.324720E+02 3.501519E+03 1.140291E+00 7.326510E+02 3.593401E+03 1.624581E+00 7.328290E+02 3.455855E+03 9.225686E-01 7.330070E+02 3.447751E+03 8.897628E-01 7.331860E+02 3.546373E+03 1.409360E+00 7.333640E+02 3.597683E+03 1.684321E+00 7.335420E+02 3.543196E+03 1.411505E+00 7.337210E+02 3.481558E+03 1.101491E+00 7.338990E+02 3.409589E+03 7.376533E-01 7.340770E+02 3.478122E+03 1.102061E+00 7.342560E+02 3.425021E+03 8.358743E-01 7.344340E+02 3.592531E+03 1.714141E+00 7.346120E+02 3.430794E+03 8.840377E-01 7.347910E+02 3.465655E+03 1.074224E+00 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7.487020E+02 3.285196E+03 8.414767E-01 7.488800E+02 3.383023E+03 1.373052E+00 7.490580E+02 3.367690E+03 1.300512E+00 7.492370E+02 3.298423E+03 9.397538E-01 7.494150E+02 3.377312E+03 1.370681E+00 7.495930E+02 3.370694E+03 1.344663E+00 7.497720E+02 3.367509E+03 1.337029E+00 7.499500E+02 3.303985E+03 1.006453E+00 7.501280E+02 3.263395E+03 7.984095E-01 7.503070E+02 3.360636E+03 1.328364E+00 7.504850E+02 3.360879E+03 1.339020E+00