********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: C6H4-1,4-(COCl)2 * Name: terephthaloyl chloride * Edge: O 1s * Alpha Formula: C8Cl2H4O2 * Data Source: Hitchcock * Filename: qc-0ookk.os * Ref. Code: HUR92 * Write Date: 93/06/10 * Reference: J. Phys. Chem. 96 (92) 8736. * Source and Purity: Aldrich * Acquisition Mode: EELS, 2 deg., 2500 eV CRE, 0.7 eV fwhm *-------------------------------------------------------------- * No. of Spectra: 2 name1- 0qco4 name2- 0qco.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 5.229001E+02 2.868000E+03 -3.649891E-02 5.230223E+02 2.863000E+03 -3.808143E-02 5.231444E+02 2.970000E+03 5.298394E-02 5.232665E+02 2.850000E+03 -4.374976E-02 5.233887E+02 2.972000E+03 5.986026E-02 5.235108E+02 2.897000E+03 2.913852E-04 5.236329E+02 2.874000E+03 -1.622576E-02 5.237551E+02 2.861000E+03 -2.446858E-02 5.238772E+02 2.926000E+03 3.207764E-02 5.239993E+02 2.786000E+03 -8.174244E-02 5.241215E+02 2.860000E+03 -1.767682E-02 5.242436E+02 2.823000E+03 -4.594439E-02 5.243657E+02 2.872000E+03 -2.600330E-03 5.244879E+02 2.810000E+03 -5.175147E-02 5.246100E+02 2.857000E+03 -1.002673E-02 5.247321E+02 2.832000E+03 -2.836701E-02 5.248542E+02 2.822000E+03 -3.420371E-02 5.249764E+02 2.805000E+03 -4.590654E-02 5.250985E+02 2.872000E+03 1.266048E-02 5.252206E+02 2.762000E+03 -7.691157E-02 5.253428E+02 2.966000E+03 9.651332E-02 5.254649E+02 2.840000E+03 -6.552731E-03 5.255870E+02 2.888000E+03 3.624841E-02 5.257092E+02 2.851000E+03 7.724558E-03 5.258313E+02 2.884000E+03 3.798250E-02 5.259534E+02 2.952000E+03 9.771401E-02 5.260756E+02 2.800000E+03 -2.762208E-02 5.261977E+02 2.913000E+03 7.003758E-02 5.263198E+02 2.914000E+03 7.344037E-02 5.264420E+02 2.826000E+03 1.782675E-03 5.265641E+02 2.825000E+03 3.445105E-03 5.266862E+02 2.747000E+03 -5.992729E-02 5.268083E+02 2.782000E+03 -2.788781E-02 5.269305E+02 2.782000E+03 -2.540976E-02 5.270526E+02 2.861000E+03 4.393287E-02 5.271747E+02 2.853000E+03 3.968128E-02 5.272969E+02 2.771000E+03 -2.730252E-02 5.274190E+02 2.824000E+03 2.012108E-02 5.275411E+02 2.731000E+03 -5.631712E-02 5.276633E+02 2.878000E+03 7.098898E-02 5.277854E+02 2.779000E+03 -1.062999E-02 5.279075E+02 2.808000E+03 1.650904E-02 5.280297E+02 2.845000E+03 5.049248E-02 5.281518E+02 2.763000E+03 -1.684674E-02 5.282739E+02 2.830000E+03 4.272541E-02 5.283961E+02 2.787000E+03 8.544978E-03 5.285182E+02 2.717000E+03 -4.873622E-02 5.286403E+02 2.746000E+03 -2.153319E-02 5.287625E+02 2.732000E+03 -3.105383E-02 5.288846E+02 2.789000E+03 2.014484E-02 5.290067E+02 2.751000E+03 -9.913345E-03 5.291288E+02 2.757000E+03 -2.324978E-03 5.292510E+02 2.755000E+03 -1.588141E-03 5.293731E+02 2.777000E+03 1.973473E-02 5.294952E+02 2.741000E+03 -8.708538E-03 5.296174E+02 2.841000E+03 7.964084E-02 5.297395E+02 2.742000E+03 -2.969613E-03 5.298616E+02 2.855000E+03 9.668471E-02 5.299838E+02 3.035000E+03 2.541577E-01 5.301059E+02 3.012000E+03 2.369590E-01 5.302280E+02 3.278000E+03 4.688897E-01 5.303502E+02 3.284000E+03 4.768297E-01 5.304723E+02 3.385000E+03 5.667956E-01 5.305944E+02 3.628000E+03 7.795672E-01 5.307166E+02 3.992000E+03 1.097249E+00 5.308387E+02 4.220000E+03 1.297709E+00 5.309608E+02 4.379000E+03 1.438709E+00 5.310829E+02 4.647000E+03 1.674340E+00 5.312051E+02 4.617000E+03 1.651927E+00 5.313272E+02 4.666000E+03 1.698020E+00 5.314493E+02 4.504000E+03 1.560974E+00 5.315715E+02 4.454000E+03 1.521041E+00 5.316936E+02 4.286000E+03 1.378450E+00 5.318157E+02 3.991000E+03 1.125152E+00 5.319379E+02 3.949000E+03 1.091779E+00 5.320600E+02 3.713000E+03 8.893189E-01 5.321821E+02 3.439000E+03 6.534368E-01 5.323043E+02 3.302000E+03 5.367556E-01 5.324264E+02 3.189000E+03 4.408609E-01 5.325485E+02 3.019000E+03 2.950225E-01 5.326707E+02 3.057000E+03 3.308457E-01 5.327928E+02 2.990000E+03 2.748406E-01 5.329149E+02 2.960000E+03 2.511504E-01 5.330370E+02 2.960000E+03 2.537093E-01 5.331592E+02 3.049000E+03 3.343067E-01 5.332813E+02 3.006000E+03 2.991890E-01 5.334034E+02 3.053000E+03 3.430445E-01 5.335256E+02 3.083000E+03 3.720195E-01 5.336477E+02 3.004000E+03 3.051869E-01 5.337698E+02 3.142000E+03 4.291999E-01 5.338920E+02 3.165000E+03 4.521207E-01 5.340141E+02 3.220000E+03 5.032664E-01 5.341362E+02 3.285000E+03 5.632976E-01 5.342584E+02 3.185000E+03 4.778134E-01 5.343805E+02 3.261000E+03 5.476158E-01 5.345026E+02 3.297000E+03 5.821665E-01 5.346248E+02 3.234000E+03 5.292204E-01 5.347469E+02 3.230000E+03 5.284035E-01 5.348690E+02 3.182000E+03 4.886195E-01 5.349911E+02 3.161000E+03 4.727006E-01 5.351133E+02 3.211000E+03 5.197135E-01 5.352354E+02 3.144000E+03 4.629672E-01 5.353575E+02 3.063000E+03 3.937062E-01 5.354797E+02 3.142000E+03 4.665194E-01 5.356018E+02 3.125000E+03 4.540656E-01 5.357239E+02 3.174000E+03 5.003197E-01 5.358461E+02 2.992000E+03 3.409377E-01 5.359682E+02 3.130000E+03 4.664757E-01 5.360903E+02 3.075000E+03 4.200858E-01 5.362125E+02 3.024000E+03 3.771961E-01 5.363346E+02 2.991000E+03 3.503160E-01 5.364567E+02 2.966000E+03 3.305426E-01 5.365789E+02 2.965000E+03 3.321987E-01 5.367010E+02 2.937000E+03 3.096928E-01 5.368231E+02 2.914000E+03 2.916286E-01 5.369453E+02 3.016000E+03 3.855447E-01 5.370674E+02 2.899000E+03 2.832109E-01 5.371895E+02 2.932000E+03 3.153289E-01 5.373116E+02 2.944000E+03 3.286309E-01 5.374338E+02 2.963000E+03 3.482374E-01 5.375559E+02 3.004000E+03 3.876500E-01 5.376780E+02 2.899000E+03 2.957385E-01 5.378002E+02 3.015000E+03 4.026956E-01 5.379223E+02 3.015000E+03 4.052722E-01 5.380444E+02 2.977000E+03 3.735836E-01 5.381666E+02 2.952000E+03 3.535772E-01 5.382887E+02 2.944000E+03 3.488895E-01 5.384108E+02 2.966000E+03 3.712992E-01 5.385330E+02 3.038000E+03 4.389473E-01 5.386551E+02 3.045000E+03 4.478700E-01 5.387772E+02 3.060000E+03 4.640455E-01 5.388994E+02 3.056000E+03 4.630230E-01 5.390215E+02 3.124000E+03 5.272807E-01 5.391436E+02 3.148000E+03 5.516990E-01 5.392657E+02 3.155000E+03 5.607119E-01 5.393879E+02 3.268000E+03 6.660471E-01 5.395100E+02 3.149000E+03 5.605773E-01 5.396321E+02 3.104000E+03 5.222886E-01 5.397543E+02 3.299000E+03 7.024676E-01 5.398764E+02 3.288000E+03 6.951955E-01 5.399985E+02 3.226000E+03 6.414083E-01 5.401207E+02 3.389000E+03 7.928357E-01 5.402428E+02 3.298000E+03 7.125553E-01 5.403649E+02 3.319000E+03 7.344912E-01 5.404871E+02 3.331000E+03 7.482250E-01 5.406092E+02 3.359000E+03 7.766127E-01 5.407313E+02 3.209000E+03 6.420625E-01 5.408535E+02 3.293000E+03 7.217160E-01 5.409756E+02 3.241000E+03 6.767846E-01 5.410977E+02 3.390000E+03 8.162006E-01 5.412198E+02 3.310000E+03 7.455571E-01 5.413420E+02 3.224000E+03 6.692989E-01 5.414641E+02 3.236000E+03 6.830314E-01 5.415862E+02 3.276000E+03 7.225394E-01 5.417084E+02 3.202000E+03 6.571431E-01 5.418305E+02 3.193000E+03 6.515364E-01 5.419526E+02 3.255000E+03 7.113755E-01 5.420748E+02 3.158000E+03 6.246046E-01 5.421969E+02 3.077000E+03 5.524815E-01 5.423190E+02 3.243000E+03 7.084435E-01 5.424412E+02 3.117000E+03 5.946695E-01 5.425633E+02 3.151000E+03 6.287526E-01 5.426854E+02 3.136000E+03 6.175173E-01 5.428076E+02 3.144000E+03 6.275694E-01 5.429297E+02 3.139000E+03 6.255804E-01 5.430518E+02 3.067000E+03 5.614304E-01 5.431740E+02 3.104000E+03 5.983742E-01 5.432961E+02 3.040000E+03 5.415410E-01 5.434182E+02 3.137000E+03 6.342897E-01 5.435403E+02 3.151000E+03 6.499532E-01 5.436625E+02 3.082000E+03 5.883721E-01 5.437846E+02 3.124000E+03 6.301000E-01 5.439067E+02 3.140000E+03 6.476459E-01 5.440289E+02 3.171000E+03 6.792035E-01 5.441510E+02 3.159000E+03 6.706634E-01 5.442731E+02 3.109000E+03 6.266126E-01 5.443953E+02 3.182000E+03 6.974677E-01 5.445174E+02 3.117000E+03 6.393366E-01 5.446395E+02 3.213000E+03 7.318183E-01 5.447617E+02 3.121000E+03 6.483335E-01 5.448838E+02 3.131000E+03 6.603341E-01 5.450059E+02 3.126000E+03 6.582780E-01 5.451281E+02 3.189000E+03 7.200386E-01 5.452502E+02 3.189000E+03 7.227093E-01 5.453723E+02 3.047000E+03 5.919191E-01 5.454944E+02 3.125000E+03 6.678572E-01 5.456166E+02 3.177000E+03 7.194263E-01 5.457387E+02 3.138000E+03 6.853582E-01 5.458608E+02 3.161000E+03 7.096713E-01 5.459830E+02 3.185000E+03 7.349568E-01 5.461051E+02 3.119000E+03 6.753371E-01 5.462272E+02 3.081000E+03 6.420743E-01 5.463494E+02 3.030000E+03 5.964770E-01 5.464715E+02 3.053000E+03 6.207935E-01 5.465936E+02 3.075000E+03 6.441933E-01 5.467158E+02 3.107000E+03 6.770910E-01 5.468379E+02 3.036000E+03 6.124251E-01 5.469600E+02 3.056000E+03 6.339595E-01 5.470822E+02 3.164000E+03 7.390241E-01 5.472043E+02 3.097000E+03 6.780549E-01 5.473264E+02 3.206000E+03 7.842361E-01 5.474485E+02 3.020000E+03 6.100542E-01 5.475707E+02 3.109000E+03 6.972962E-01 5.476928E+02 3.056000E+03 6.494467E-01 5.478149E+02 3.112000E+03 7.053849E-01 5.479371E+02 3.148000E+03 7.423260E-01 5.480592E+02 3.050000E+03 6.514631E-01 5.481813E+02 3.123000E+03 7.237369E-01 5.483035E+02 3.100000E+03 7.043858E-01 5.484256E+02 3.156000E+03 7.605337E-01 5.485477E+02 3.066000E+03 6.770738E-01 5.486699E+02 2.965000E+03 5.829650E-01 5.487920E+02 3.122000E+03 7.358941E-01 5.489141E+02 3.200000E+03 8.132928E-01 5.490363E+02 3.070000E+03 6.912528E-01 5.491584E+02 3.116000E+03 7.379997E-01 5.492805E+02 3.034000E+03 6.618451E-01 5.494026E+02 3.067000E+03 6.961314E-01 5.495248E+02 3.208000E+03 8.343508E-01 5.496469E+02 3.101000E+03 7.340298E-01 5.497690E+02 3.107000E+03 7.424165E-01 5.498912E+02 3.032000E+03 6.727343E-01 5.500133E+02 3.018000E+03 6.617921E-01 5.501354E+02 3.168000E+03 8.091268E-01 5.502576E+02 3.050000E+03 6.978043E-01 5.503797E+02 3.095000E+03 7.438709E-01 5.505018E+02 2.914000E+03 5.714125E-01 5.506240E+02 2.960000E+03 6.184164E-01 5.507461E+02 2.950000E+03 6.112449E-01 5.508682E+02 2.889000E+03 5.546327E-01 5.509904E+02 3.021000E+03 6.851147E-01 5.511125E+02 2.912000E+03 5.818859E-01 5.512346E+02 2.980000E+03 6.504039E-01 5.513568E+02 2.992000E+03 6.645907E-01 5.514789E+02 2.993000E+03 6.680967E-01 5.516010E+02 2.966000E+03 6.443563E-01 5.517231E+02 2.989000E+03 6.692691E-01 5.518453E+02 3.003000E+03 6.854418E-01 5.519674E+02 3.020000E+03 7.045583E-01 5.520895E+02 3.043000E+03 7.295513E-01 5.522117E+02 2.936000E+03 6.276419E-01 5.523338E+02 3.048000E+03 7.395688E-01 5.524559E+02 2.924000E+03 6.208993E-01 5.525781E+02 2.939000E+03 6.380622E-01 5.527002E+02 3.005000E+03 7.051766E-01 5.528223E+02 2.959000E+03 6.626498E-01 5.529445E+02 2.968000E+03 6.739829E-01 5.530666E+02 2.942000E+03 6.509912E-01 5.531887E+02 2.852000E+03 5.651360E-01 5.533109E+02 2.897000E+03 6.117807E-01 5.534330E+02 2.904000E+03 6.211298E-01 5.535551E+02 2.935000E+03 6.540967E-01 5.536772E+02 2.883000E+03 6.054029E-01 5.537994E+02 2.939000E+03 6.630226E-01 5.539215E+02 2.954000E+03 6.803028E-01 5.540436E+02 2.964000E+03 6.926715E-01 5.541658E+02 2.856000E+03 5.885853E-01 5.542879E+02 3.005000E+03 7.381893E-01 5.544100E+02 2.819000E+03 5.568953E-01 5.545322E+02 2.829000E+03 5.692000E-01 5.546543E+02 2.854000E+03 5.963629E-01 5.547764E+02 2.867000E+03 6.116749E-01 5.548986E+02 2.773000E+03 5.209660E-01 5.550207E+02 2.812000E+03 5.620247E-01 5.551428E+02 2.896000E+03 6.477908E-01 5.552650E+02 2.828000E+03 5.827309E-01 5.553871E+02 2.818000E+03 5.752133E-01 5.555092E+02 2.888000E+03 6.472304E-01 5.556313E+02 2.830000E+03 5.919785E-01 5.557535E+02 2.874000E+03 6.382092E-01 5.558756E+02 2.772000E+03 5.390303E-01 5.559977E+02 2.667000E+03 4.367234E-01 5.561199E+02 2.764000E+03 5.358109E-01 5.562420E+02 2.762000E+03 5.361897E-01 5.563641E+02 2.760000E+03 5.365653E-01 5.564863E+02 2.722000E+03 5.009490E-01 5.566084E+02 2.681000E+03 4.622802E-01 5.567305E+02 2.714000E+03 4.976340E-01 5.568527E+02 2.859000E+03 6.452249E-01 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