********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: CH3-C6H5-Cr(CO)3 * Name: Toluenechromiumtricarbonyl * Edge: C 1s * Alpha Formula: C10CrH8O3 * Data Source: Hitchcock * Filename: ct-0cckk.os * Ref. Code: WRH89 * Write Date: 08/05/98 * Reference: Wen, Ruhl, Hitchcock, (1989), unpublished. * Source and Purity: MGM lab(returned) * Acquisition Mode: EELS, 2 deg, 2500eV CRE mode, 0.7eV fwhm *-------------------------------------------------------------- * No. of Spectra: 2 name1- 0ctc name2- 0ctc.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 2.712330E+02 2.790000E+02 -9.700166E-02 2.714240E+02 3.460000E+02 -4.492059E-02 2.716150E+02 3.020000E+02 -1.700285E-02 2.718060E+02 3.580000E+02 1.992296E-02 2.719970E+02 3.590000E+02 6.190962E-03 2.721880E+02 2.910000E+02 -3.355413E-02 2.723790E+02 3.330000E+02 7.811907E-03 2.725700E+02 3.710000E+02 5.511639E-02 2.727610E+02 3.230000E+02 5.273760E-02 2.729520E+02 3.060000E+02 5.019610E-02 2.731430E+02 3.480000E+02 4.711825E-02 2.733340E+02 3.150000E+02 3.794950E-02 2.735250E+02 3.170000E+02 2.731984E-02 2.737160E+02 3.390000E+02 -4.365169E-03 2.739070E+02 2.970000E+02 -3.199068E-02 2.740980E+02 3.230000E+02 -3.947048E-02 2.742890E+02 2.950000E+02 -5.615704E-02 2.744800E+02 2.990000E+02 -4.548189E-02 2.746710E+02 3.290000E+02 -2.587980E-03 2.748620E+02 3.380000E+02 2.141573E-02 2.750530E+02 3.030000E+02 3.043560E-02 2.752440E+02 3.234970E+02 3.950298E-02 2.754350E+02 3.440000E+02 4.806706E-02 2.756260E+02 3.320000E+02 5.299656E-02 2.758170E+02 3.140000E+02 5.224197E-02 2.760080E+02 3.170000E+02 4.889709E-02 2.761990E+02 3.104990E+02 4.552847E-02 2.763900E+02 3.040000E+02 4.213232E-02 2.765810E+02 2.900000E+02 3.870659E-02 2.767720E+02 2.970000E+02 3.626975E-02 2.769630E+02 3.280000E+02 3.773700E-02 2.771540E+02 2.970000E+02 3.411572E-02 2.773450E+02 3.120000E+02 2.774684E-02 2.775360E+02 3.260000E+02 4.279584E-02 2.777270E+02 3.430000E+02 5.733486E-02 2.779180E+02 2.990000E+02 4.487941E-02 2.781090E+02 3.230000E+02 3.203456E-02 2.783000E+02 3.030000E+02 3.717066E-02 2.784910E+02 2.870000E+02 4.116639E-02 2.786820E+02 3.090000E+02 4.687233E-02 2.788730E+02 3.460000E+02 5.704235E-02 2.790640E+02 3.150000E+02 5.321549E-02 2.792550E+02 3.340000E+02 4.925719E-02 2.794460E+02 2.970000E+02 4.767148E-02 2.796370E+02 2.860000E+02 4.318402E-02 2.798280E+02 2.970000E+02 3.350751E-02 2.800200E+02 2.880000E+02 -6.015734E-03 2.802100E+02 2.630000E+02 -3.339072E-02 2.804020E+02 2.910000E+02 -2.458473E-03 2.805920E+02 3.070000E+02 2.559420E-02 2.807840E+02 3.170000E+02 2.328954E-02 2.809750E+02 3.000000E+02 1.196401E-02 2.811660E+02 3.010000E+02 6.380753E-03 2.813570E+02 2.970000E+02 1.222485E-02 2.815480E+02 2.870000E+02 -5.643221E-03 2.817390E+02 2.690000E+02 -2.115240E-02 2.819300E+02 3.090000E+02 1.729475E-02 2.821210E+02 2.770000E+02 5.604709E-02 2.823120E+02 3.190000E+02 5.480234E-02 2.825030E+02 2.850000E+02 4.451505E-02 2.826940E+02 3.080000E+02 5.386436E-02 2.828850E+02 3.260000E+02 6.784640E-02 2.830760E+02 3.120000E+02 5.872927E-02 2.832670E+02 3.100000E+02 4.172360E-02 2.834580E+02 3.010000E+02 3.321813E-02 2.836490E+02 3.050000E+02 3.150378E-02 2.838400E+02 3.020000E+02 2.670003E-02 2.840310E+02 2.950000E+02 2.501754E-02 2.842220E+02 2.780000E+02 3.921191E-02 2.844130E+02 3.040000E+02 7.624561E-02 2.846040E+02 3.320000E+02 1.413434E-01 2.847950E+02 3.530000E+02 2.170206E-01 2.849860E+02 3.760000E+02 3.040860E-01 2.851770E+02 4.030000E+02 4.381140E-01 2.853680E+02 4.910000E+02 5.629253E-01 2.855590E+02 4.570000E+02 6.363015E-01 2.857500E+02 5.200000E+02 7.211466E-01 2.859410E+02 5.360000E+02 7.695158E-01 2.861320E+02 5.130000E+02 7.597574E-01 2.863230E+02 5.240000E+02 7.488229E-01 2.865140E+02 5.140000E+02 7.121838E-01 2.867050E+02 4.690000E+02 7.064295E-01 2.868960E+02 5.330000E+02 8.023161E-01 2.870870E+02 5.470000E+02 9.747918E-01 2.872780E+02 6.410000E+02 1.221154E+00 2.874690E+02 7.380000E+02 1.429479E+00 2.876600E+02 7.280000E+02 1.508355E+00 2.878510E+02 7.570000E+02 1.510889E+00 2.880420E+02 7.160000E+02 1.463994E+00 2.882330E+02 7.100000E+02 1.382048E+00 2.884240E+02 6.730000E+02 1.228310E+00 2.886150E+02 5.710000E+02 1.046947E+00 2.888060E+02 5.740000E+02 9.202172E-01 2.889970E+02 5.100000E+02 8.128363E-01 2.891880E+02 4.890000E+02 7.740551E-01 2.893790E+02 5.190000E+02 8.238185E-01 2.895700E+02 5.420000E+02 8.311848E-01 2.897610E+02 4.820000E+02 8.045034E-01 2.899520E+02 5.250000E+02 8.553321E-01 2.901430E+02 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2.951090E+02 5.430000E+02 1.008142E+00 2.953000E+02 5.160000E+02 9.749134E-01 2.954910E+02 5.090000E+02 9.648221E-01 2.956820E+02 5.260000E+02 9.799646E-01 2.958730E+02 5.190000E+02 9.579688E-01 2.960640E+02 4.860000E+02 9.524853E-01 2.962550E+02 5.360000E+02 9.868752E-01 2.964460E+02 5.130000E+02 9.566215E-01 2.966370E+02 4.830000E+02 8.886752E-01 2.968280E+02 4.770000E+02 8.826242E-01 2.970190E+02 4.970000E+02 9.141641E-01 2.972100E+02 5.010000E+02 8.999866E-01 2.974010E+02 4.570000E+02 8.814086E-01 2.975920E+02 5.040000E+02 9.223710E-01 2.977830E+02 4.880000E+02 9.829618E-01 2.979740E+02 5.290000E+02 1.044458E+00 2.981650E+02 5.310000E+02 1.053893E+00 2.983560E+02 5.020000E+02 1.010182E+00 2.985470E+02 5.100000E+02 9.493676E-01 2.987380E+02 4.620000E+02 8.731735E-01 2.989290E+02 4.520000E+02 8.749273E-01 2.991200E+02 5.060000E+02 9.204198E-01 2.993110E+02 4.560000E+02 9.371979E-01 2.995020E+02 5.150000E+02 9.499298E-01 2.996930E+02 4.560000E+02 9.719189E-01 2.998840E+02 5.190000E+02 1.046518E+00 3.000750E+02 5.310000E+02 1.059830E+00 3.002670E+02 4.740000E+02 9.886928E-01 3.004570E+02 4.850000E+02 9.957219E-01 3.006490E+02 5.110000E+02 1.047290E+00 3.008400E+02 5.010000E+02 1.062884E+00 3.010310E+02 5.110000E+02 1.050490E+00 3.012220E+02 4.870000E+02 1.023512E+00 3.014130E+02 4.930000E+02 1.000259E+00 3.016040E+02 4.750000E+02 9.911135E-01 3.017950E+02 4.870000E+02 1.001631E+00 3.019860E+02 5.050000E+02 1.012759E+00 3.021770E+02 5.190000E+02 1.012906E+00 3.023680E+02 5.070010E+02 1.013039E+00 3.025590E+02 4.949990E+02 1.013158E+00 3.027500E+02 4.830000E+02 1.015578E+00 3.029410E+02 4.800000E+02 1.023989E+00 3.031320E+02 4.910000E+02 1.004107E+00 3.033230E+02 4.550000E+02 9.482772E-01 3.035140E+02 5.420000E+02 9.180827E-01 3.037050E+02 4.790000E+02 9.209328E-01 3.038960E+02 4.645020E+02 9.460567E-01 3.040870E+02 4.500000E+02 1.005541E+00 3.042780E+02 4.754960E+02 1.073442E+00 3.044690E+02 5.010000E+02 1.091655E+00 3.046600E+02 4.800000E+02 1.025583E+00 3.048510E+02 4.450000E+02 9.454932E-01 3.050420E+02 4.410000E+02 9.475399E-01 3.052330E+02 4.730000E+02 9.893055E-01 3.054240E+02 4.480000E+02 1.035968E+00 3.056150E+02 4.980000E+02 1.107853E+00 3.058060E+02 4.600000E+02 1.135681E+00 3.059970E+02 4.280000E+02 1.113762E+00 3.061880E+02 4.504960E+02 1.091777E+00 3.063790E+02 4.730000E+02 1.065900E+00 3.065700E+02 4.670000E+02 1.012186E+00 3.067610E+02 4.400000E+02 9.228303E-01 3.069520E+02 4.100000E+02 8.615744E-01 3.071430E+02 4.290000E+02 8.458706E-01 3.073340E+02 3.990000E+02 8.549667E-01 3.075250E+02 4.390000E+02 8.881964E-01 3.077160E+02 4.170000E+02 9.036147E-01 3.079070E+02 4.370000E+02 8.841469E-01 3.080980E+02 4.000000E+02 8.554836E-01 3.082890E+02 4.210000E+02 8.424000E-01 3.084800E+02 4.020000E+02 8.260940E-01 3.086710E+02 3.960000E+02 8.391551E-01 3.088620E+02 4.300000E+02 8.661224E-01 3.090530E+02 3.970000E+02 8.471885E-01 3.092440E+02 4.070000E+02 8.423947E-01 3.094350E+02 4.060000E+02 8.634498E-01 3.096260E+02 4.170000E+02 8.554960E-01 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