********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: c-C6F5H * Name: Pentafluorobenzene * Edge: F 1s * Alpha Formula: C6F5H * Data Source: Hitchcock * Filename: pf-0ffkk.os * Ref. Code: HF&87 * Write Date: 93/06/10 * Reference: J. Phys. Chem. 91 (87) 531. * Source and Purity: (borrowed) * Acquisition Mode: EELS, 2 deg., 2500 eV CRE, 0.7 eV fwhm *-------------------------------------------------------------- * No. of Spectra: 2 name1- 0pff1 name2- 0pff.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 6.832790E+02 3.732000E+03 -2.501893E-02 6.834370E+02 3.813000E+03 -8.402700E-03 6.835940E+02 3.857000E+03 7.840454E-04 6.837520E+02 3.786000E+03 -1.311089E-02 6.839090E+02 3.812000E+03 -7.537795E-03 6.840670E+02 3.793000E+03 -1.099531E-02 6.842240E+02 3.807000E+03 -7.831438E-03 6.843820E+02 3.896000E+03 1.038920E-02 6.845400E+02 3.793000E+03 -9.930409E-03 6.846970E+02 3.935000E+03 1.892613E-02 6.848550E+02 3.863000E+03 4.828600E-03 6.850120E+02 3.892000E+03 1.100236E-02 6.851700E+02 3.832000E+03 -6.869158E-04 6.853280E+02 3.759000E+03 -1.498571E-02 6.854850E+02 3.853000E+03 4.234502E-03 6.856430E+02 3.817000E+03 -2.637890E-03 6.858000E+02 3.863000E+03 6.946881E-03 6.859580E+02 3.871000E+03 8.906088E-03 6.861160E+02 3.924000E+03 1.989777E-02 6.862730E+02 3.818000E+03 -1.028830E-03 6.864310E+02 3.912000E+03 1.819221E-02 6.865880E+02 4.033000E+03 4.283043E-02 6.867460E+02 3.965000E+03 2.953292E-02 6.869040E+02 4.071000E+03 5.116202E-02 6.870610E+02 4.352000E+03 1.079160E-01 6.872190E+02 4.461000E+03 1.301468E-01 6.873760E+02 4.731000E+03 1.846923E-01 6.875340E+02 5.117000E+03 2.625243E-01 6.876920E+02 5.517000E+03 3.431662E-01 6.878490E+02 5.841000E+03 4.085504E-01 6.880070E+02 6.382000E+03 5.174945E-01 6.881640E+02 6.956000E+03 6.330602E-01 6.883220E+02 7.190000E+03 6.803803E-01 6.884790E+02 7.895000E+03 8.222408E-01 6.886370E+02 8.213000E+03 8.864217E-01 6.887950E+02 8.669000E+03 9.783027E-01 6.889520E+02 9.060000E+03 1.057134E+00 6.891100E+02 9.160000E+03 1.077555E+00 6.892670E+02 8.967000E+03 1.039161E+00 6.894250E+02 8.828000E+03 1.011608E+00 6.895830E+02 8.518000E+03 9.497297E-01 6.897400E+02 8.197000E+03 8.856412E-01 6.898980E+02 7.683000E+03 7.828143E-01 6.900550E+02 7.125000E+03 6.711528E-01 6.902130E+02 6.857000E+03 6.177045E-01 6.903710E+02 6.486000E+03 5.435808E-01 6.905280E+02 6.268000E+03 5.001664E-01 6.906860E+02 6.153000E+03 4.774287E-01 6.908430E+02 6.242000E+03 4.956374E-01 6.910010E+02 6.513000E+03 5.503802E-01 6.911590E+02 6.649000E+03 5.780247E-01 6.913160E+02 7.228000E+03 6.945893E-01 6.914740E+02 7.198000E+03 6.889125E-01 6.916310E+02 7.442000E+03 7.382327E-01 6.917890E+02 7.535000E+03 7.572449E-01 6.919470E+02 7.509000E+03 7.523702E-01 6.921040E+02 7.299000E+03 7.105591E-01 6.922620E+02 7.326000E+03 7.163226E-01 6.924190E+02 7.188000E+03 6.889634E-01 6.925770E+02 7.089000E+03 6.694347E-01 6.927340E+02 7.084000E+03 6.687719E-01 6.928920E+02 7.196000E+03 6.915963E-01 6.930500E+02 7.190000E+03 6.907346E-01 6.932070E+02 7.168000E+03 6.866587E-01 6.933650E+02 7.074000E+03 6.681324E-01 6.935220E+02 7.285000E+03 7.108258E-01 6.936800E+02 7.303000E+03 7.147806E-01 6.938380E+02 7.332000E+03 7.209432E-01 6.939950E+02 7.189000E+03 6.925780E-01 6.941530E+02 7.449000E+03 7.451084E-01 6.943100E+02 7.158000E+03 6.870350E-01 6.944680E+02 7.224000E+03 7.006237E-01 6.946260E+02 7.180000E+03 6.921319E-01 6.947830E+02 6.840000E+03 6.242223E-01 6.949410E+02 6.990000E+03 6.546712E-01 6.950980E+02 6.917000E+03 6.403556E-01 6.952560E+02 7.089000E+03 6.752202E-01 6.954140E+02 7.014000E+03 6.605048E-01 6.955710E+02 6.900000E+03 6.379584E-01 6.957290E+02 6.838000E+03 6.258520E-01 6.958860E+02 6.845000E+03 6.275934E-01 6.960440E+02 6.854000E+03 6.297382E-01 6.962020E+02 6.928000E+03 6.449301E-01 6.963590E+02 6.930000E+03 6.456672E-01 6.965170E+02 6.881000E+03 6.361691E-01 6.966740E+02 6.902000E+03 6.407195E-01 6.968320E+02 7.080000E+03 6.767861E-01 6.969900E+02 6.973000E+03 6.556450E-01 6.971470E+02 7.059000E+03 6.732422E-01 6.973050E+02 6.932000E+03 6.480861E-01 6.974620E+02 7.140000E+03 6.901716E-01 6.976200E+02 6.956000E+03 6.535736E-01 6.977770E+02 6.737000E+03 6.099477E-01 6.979350E+02 6.760000E+03 6.148999E-01 6.980930E+02 6.609000E+03 5.849253E-01 6.982500E+02 6.655000E+03 5.944917E-01 6.984080E+02 6.495000E+03 5.627100E-01 6.985650E+02 6.441000E+03 5.522031E-01 6.987230E+02 6.371000E+03 5.384865E-01 6.988810E+02 6.242000E+03 5.129267E-01 6.990380E+02 6.231000E+03 5.110505E-01 6.991960E+02 6.167000E+03 4.985375E-01 6.993530E+02 6.298000E+03 5.251643E-01 6.995110E+02 6.273000E+03 5.204792E-01 6.996690E+02 6.181000E+03 5.023453E-01 6.998260E+02 6.034000E+03 4.731689E-01 6.999840E+02 6.066000E+03 4.799248E-01 7.001410E+02 5.998000E+03 4.666054E-01 7.002990E+02 5.922000E+03 4.516823E-01 7.004570E+02 6.048000E+03 4.773059E-01 7.006140E+02 5.988000E+03 4.655918E-01 7.007720E+02 6.030000E+03 4.743538E-01 7.009290E+02 5.946000E+03 4.578218E-01 7.010870E+02 5.925000E+03 4.539374E-01 7.012450E+02 5.803000E+03 4.297794E-01 7.014020E+02 5.769000E+03 4.232831E-01 7.015600E+02 5.665000E+03 4.027377E-01 7.017170E+02 5.854000E+03 4.410033E-01 7.018750E+02 5.805000E+03 4.314976E-01 7.020320E+02 5.845000E+03 4.398542E-01 7.021900E+02 5.692000E+03 4.094723E-01 7.023480E+02 5.714000E+03 4.142176E-01 7.025050E+02 5.649000E+03 4.014971E-01 7.026630E+02 5.555000E+03 3.829575E-01 7.028200E+02 5.625000E+03 3.973349E-01 7.029780E+02 5.654000E+03 4.034844E-01 7.031360E+02 5.620000E+03 3.969877E-01 7.032930E+02 5.551000E+03 3.834634E-01 7.034510E+02 5.586000E+03 3.908164E-01 7.036080E+02 5.511000E+03 3.760872E-01 7.037660E+02 5.568000E+03 3.878560E-01 7.039240E+02 5.570000E+03 3.885845E-01 7.040810E+02 5.468000E+03 3.684349E-01 7.042390E+02 5.530000E+03 3.812067E-01 7.043960E+02 5.533000E+03 3.821331E-01 7.045540E+02 5.331000E+03 3.419122E-01 7.047120E+02 5.457000E+03 3.675298E-01 7.048690E+02 5.440000E+03 3.644412E-01 7.050270E+02 5.477000E+03 3.721936E-01 7.051840E+02 5.440000E+03 3.650899E-01 7.053420E+02 5.437000E+03 3.648127E-01 7.055000E+02 5.495000E+03 3.767798E-01 7.056570E+02 5.428000E+03 3.636535E-01 7.058150E+02 5.534000E+03 3.852552E-01 7.059720E+02 5.484000E+03 3.755409E-01 7.061300E+02 5.488000E+03 3.766678E-01 7.062870E+02 5.452000E+03 3.697633E-01 7.064450E+02 5.635000E+03 4.068201E-01 7.066030E+02 5.598000E+03 3.997166E-01 7.067600E+02 5.509000E+03 3.821728E-01 7.069180E+02 5.584000E+03 3.975503E-01 7.070750E+02 5.594000E+03 3.998782E-01 7.072330E+02 5.448000E+03 3.708943E-01 7.073910E+02 5.561000E+03 3.938988E-01 7.075480E+02 5.465000E+03 3.749489E-01 7.077060E+02 5.374000E+03 3.570045E-01 7.078630E+02 5.524000E+03 3.874333E-01 7.080210E+02 5.467000E+03 3.763132E-01 7.081790E+02 5.500000E+03 3.832584E-01 7.083360E+02 5.625000E+03 4.086683E-01 7.084940E+02 5.492000E+03 3.822923E-01 7.086510E+02 5.618000E+03 4.079025E-01 7.088090E+02 5.510000E+03 3.865443E-01 7.089670E+02 5.485000E+03 3.818461E-01 7.091240E+02 5.488000E+03 3.827662E-01 7.092820E+02 5.531000E+03 3.917171E-01 7.094390E+02 5.575000E+03 4.008667E-01 7.095970E+02 5.502000E+03 3.865328E-01 7.097550E+02 5.466000E+03 3.796256E-01 7.099120E+02 5.444000E+03 3.755264E-01 7.100700E+02 5.424000E+03 3.718305E-01 7.102270E+02 5.439000E+03 3.751578E-01 7.103850E+02 5.407000E+03 3.690527E-01 7.105420E+02 5.394000E+03 3.667592E-01 7.107000E+02 5.506000E+03 3.895586E-01 7.108580E+02 5.477000E+03 3.840549E-01 7.110150E+02 5.437000E+03 3.763413E-01 7.111730E+02 5.364000E+03 3.620052E-01 7.113300E+02 5.402000E+03 3.699479E-01 7.114880E+02 5.334000E+03 3.566150E-01 7.116460E+02 5.554000E+03 4.010918E-01 7.118030E+02 5.355000E+03 3.614611E-01 7.119610E+02 5.415000E+03 3.738209E-01 7.121180E+02 5.457000E+03 3.825654E-01 7.122760E+02 5.396000E+03 3.706367E-01 7.124340E+02 5.449000E+03 3.815908E-01 7.125910E+02 5.294000E+03 3.507912E-01 7.127490E+02 5.431000E+03 3.786061E-01 7.129060E+02 5.363000E+03 3.652694E-01 7.130640E+02 5.305000E+03 3.539418E-01 7.132220E+02 5.486000E+03 3.905879E-01 7.133790E+02 5.295000E+03 3.525612E-01 7.135370E+02 5.515000E+03 3.970354E-01 7.136940E+02 5.429000E+03 3.800845E-01 7.138520E+02 5.254000E+03 3.452707E-01 7.140100E+02 5.321000E+03 3.590330E-01 7.141670E+02 5.365000E+03 3.681762E-01 7.143250E+02 5.419000E+03 3.793285E-01 7.144820E+02 5.386000E+03 3.730153E-01 7.146400E+02 5.355000E+03 3.671053E-01 7.147970E+02 5.291000E+03 3.545690E-01 7.149550E+02 5.341000E+03 3.649176E-01 7.151130E+02 5.354000E+03 3.678389E-01 7.152700E+02 5.322000E+03 3.617255E-01 7.154280E+02 5.361000E+03 3.698654E-01 7.155850E+02 5.248000E+03 3.474925E-01 7.157430E+02 5.307000E+03 3.596466E-01 7.159010E+02 5.281000E+03 3.547386E-01 7.160580E+02 5.407000E+03 3.803391E-01 7.162160E+02 5.293000E+03 3.577666E-01 7.163730E+02 5.218000E+03 3.430203E-01 7.165310E+02 5.384000E+03 3.766513E-01 7.166890E+02 5.201000E+03 3.402281E-01 7.168460E+02 5.237000E+03 3.477619E-01 7.170040E+02 5.362000E+03 3.731625E-01 7.171610E+02 5.301000E+03 3.612254E-01 7.173190E+02 5.343000E+03 3.699650E-01 7.174770E+02 5.328000E+03 3.672630E-01 7.176340E+02 5.248000E+03 3.515115E-01 7.177920E+02 5.290000E+03 3.602505E-01 7.179490E+02 5.349000E+03 3.723998E-01 7.181070E+02 5.318000E+03 3.664854E-01 7.182650E+02 5.205000E+03 3.441109E-01 7.184220E+02 5.266000E+03 3.566611E-01 7.185800E+02 5.129000E+03 3.294688E-01 7.188950E+02 5.295000E+03 3.634021E-01 7.190520E+02 5.241000E+03 3.528677E-01 7.192100E+02 5.286000E+03 3.622071E-01 7.193680E+02 5.249000E+03 3.550866E-01 7.195250E+02 5.303000E+03 3.662303E-01 7.196830E+02 5.421000E+03 3.902222E-01 7.198400E+02 5.122000E+03 3.305085E-01 7.199980E+02 5.223000E+03 3.510877E-01 7.201560E+02 5.224000E+03 3.515939E-01 7.203130E+02 5.148000E+03 3.366418E-01 7.204710E+02 5.349000E+03 3.772933E-01 7.206280E+02 5.075000E+03 3.225967E-01 7.207860E+02 5.298000E+03 3.676638E-01 7.209440E+02 5.199000E+03 3.480961E-01 7.211010E+02 5.253000E+03 3.592378E-01 7.212590E+02 5.245000E+03 3.579360E-01 7.214160E+02 5.250000E+03 3.592418E-01 7.215740E+02 5.367000E+03 3.830305E-01 7.217320E+02 5.318000E+03 3.734983E-01 7.218890E+02 5.197000E+03 3.495115E-01 7.220470E+02 5.267000E+03 3.638656E-01 7.222040E+02 5.145000E+03 3.396777E-01 7.223620E+02 5.241000E+03 3.592503E-01 7.225200E+02 5.103000E+03 3.318523E-01 7.226770E+02 5.300000E+03 3.716962E-01 7.228350E+02 5.306000E+03 3.732026E-01 7.229920E+02 5.217000E+03 3.556378E-01 7.231500E+02 5.318000E+03 3.762131E-01 7.233070E+02 5.067000E+03 3.261298E-01 7.234650E+02 5.102000E+03 3.334566E-01 7.236230E+02 5.323000E+03 3.781186E-01 7.237800E+02 5.265000E+03 3.667755E-01 7.239380E+02 5.236000E+03 3.612550E-01 7.240950E+02 5.239000E+03 3.621558E-01 7.242530E+02 5.292000E+03 3.730947E-01 7.244110E+02 5.205000E+03 3.559316E-01 7.245680E+02 5.143000E+03 3.437845E-01 7.247260E+02 5.128000E+03 3.410732E-01 7.248830E+02 5.223000E+03 3.604400E-01 7.250410E+02 5.289000E+03 3.739875E-01 7.251990E+02 5.218000E+03 3.600348E-01 7.253560E+02 5.192000E+03 3.551131E-01 7.255140E+02 5.260000E+03 3.690613E-01 7.256710E+02 5.219000E+03 3.611282E-01 7.258290E+02 5.151000E+03 3.477769E-01 7.259870E+02 5.052000E+03 3.282031E-01 7.261440E+02 5.083000E+03 3.347217E-01 7.263020E+02 5.260000E+03 3.705485E-01 7.264590E+02 5.145000E+03 3.477604E-01 7.266170E+02 5.202000E+03 3.594994E-01 7.267750E+02 5.157000E+03 3.507639E-01 7.269320E+02 5.108000E+03 3.412233E-01 7.270900E+02 5.274000E+03 3.748411E-01 7.272470E+02 5.142000E+03 3.486396E-01 7.274050E+02 5.152000E+03 3.509434E-01 7.275630E+02 5.260000E+03 3.729182E-01 7.277200E+02 5.196000E+03 3.603657E-01 7.278780E+02 5.088000E+03 3.389831E-01 7.280350E+02 5.262000E+03 3.742036E-01 7.281930E+02 5.189000E+03 3.598459E-01 7.283500E+02 5.008000E+03 3.238075E-01 7.285080E+02 5.055000E+03 3.335369E-01 7.286660E+02 5.241000E+03 3.711673E-01 7.288230E+02 5.199000E+03 3.630295E-01 7.289810E+02 5.137000E+03 3.508790E-01 7.291380E+02 5.084000E+03 3.405329E-01 7.292960E+02 5.248000E+03 3.737464E-01 7.294540E+02 5.122000E+03 3.487486E-01