********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: C6H4-1,4-(COCl)2 * Name: terephthaloyl chloride * Edge: C 1s * Alpha Formula: C8Cl2H4O2 * Data Source: Hitchcock * Filename: qc-0cckk.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- 0qccs name2- 0qcc.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 2.766540E+02 1.090842E+04 2.951841E-03 2.767917E+02 1.081125E+04 -3.420788E-03 2.769295E+02 1.081164E+04 -2.419829E-03 2.770673E+02 1.076692E+04 -4.866090E-03 2.772050E+02 1.074360E+04 -5.695962E-03 2.773428E+02 1.082245E+04 1.326553E-03 2.774805E+02 1.082820E+04 2.745606E-03 2.776183E+02 1.089416E+04 8.837697E-03 2.777560E+02 1.084099E+04 5.694676E-03 2.778938E+02 1.066970E+04 -6.707550E-03 2.780316E+02 1.075610E+04 9.984925E-04 2.781693E+02 1.090317E+04 1.353121E-02 2.783071E+02 1.083211E+04 8.916393E-03 2.784448E+02 1.095339E+04 1.951155E-02 2.785826E+02 1.062229E+04 -5.822638E-03 2.787203E+02 1.070889E+04 2.012506E-03 2.788581E+02 1.066528E+04 -5.392932E-04 2.789958E+02 1.048305E+04 -1.427058E-02 2.791336E+02 1.069008E+04 3.325894E-03 2.792714E+02 1.066631E+04 2.338943E-03 2.794091E+02 1.051974E+04 -8.652242E-03 2.795469E+02 1.060481E+04 -8.174746E-04 2.796846E+02 1.044236E+04 -1.321496E-02 2.798224E+02 1.049025E+04 -8.409857E-03 2.799601E+02 1.050828E+04 -6.039967E-03 2.800979E+02 1.048027E+04 -7.474426E-03 2.802357E+02 1.060336E+04 3.640978E-03 2.803734E+02 1.055646E+04 6.431227E-04 2.805112E+02 1.040475E+04 -1.116378E-02 2.806489E+02 1.060340E+04 6.395286E-03 2.807867E+02 1.062342E+04 9.002945E-03 2.809244E+02 1.040964E+04 -8.178551E-03 2.810622E+02 1.046435E+04 -2.668296E-03 2.812000E+02 1.034314E+04 -1.213270E-02 2.813377E+02 1.045715E+04 -1.531469E-03 2.814755E+02 1.031969E+04 -1.246904E-02 2.816132E+02 1.037298E+04 -7.039609E-03 2.817510E+02 1.045845E+04 1.209005E-03 2.818887E+02 1.053134E+04 8.418979E-03 2.820265E+02 1.041637E+04 -7.047551E-04 2.821642E+02 1.039049E+04 -2.105024E-03 2.823020E+02 1.026361E+04 -1.239172E-02 2.824398E+02 1.044952E+04 4.815249E-03 2.825775E+02 1.048823E+04 9.117651E-03 2.827153E+02 1.037235E+04 -2.813546E-04 2.828530E+02 1.047224E+04 9.475584E-03 2.829908E+02 1.036104E+04 4.165687E-04 2.831285E+02 1.038956E+04 3.828630E-03 2.832663E+02 1.061822E+04 2.529198E-02 2.834041E+02 1.067032E+04 3.094082E-02 2.835418E+02 1.092629E+04 5.512670E-02 2.836796E+02 1.169402E+04 1.260926E-01 2.838173E+02 1.264862E+04 2.146504E-01 2.839551E+02 1.453324E+04 3.891655E-01 2.840928E+02 1.712341E+04 6.299012E-01 2.842306E+02 2.035029E+04 9.312066E-01 2.843683E+02 2.283734E+04 1.166065E+00 2.845061E+02 2.506324E+04 1.378298E+00 2.846439E+02 2.624211E+04 1.494235E+00 2.847816E+02 2.607785E+04 1.485062E+00 2.849194E+02 2.503930E+04 1.393531E+00 2.850571E+02 2.367939E+04 1.270965E+00 2.851949E+02 2.262517E+04 1.176461E+00 2.853326E+02 2.133694E+04 1.058991E+00 2.854704E+02 1.991442E+04 9.278327E-01 2.856082E+02 1.854107E+04 8.004184E-01 2.857459E+02 1.702598E+04 6.584390E-01 2.858837E+02 1.540972E+04 5.056564E-01 2.860214E+02 1.389029E+04 3.611363E-01 2.861592E+02 1.294739E+04 2.715973E-01 2.862969E+02 1.266978E+04 2.462964E-01 2.864347E+02 1.252621E+04 2.339272E-01 2.865724E+02 1.337326E+04 3.187835E-01 2.867102E+02 1.476673E+04 4.581179E-01 2.868480E+02 1.684629E+04 6.663356E-01 2.869857E+02 1.931299E+04 9.144837E-01 2.871235E+02 2.168356E+04 1.154820E+00 2.872612E+02 2.354483E+04 1.345922E+00 2.873990E+02 2.401271E+04 1.398504E+00 2.875367E+02 2.346436E+04 1.349061E+00 2.876745E+02 2.235221E+04 1.242240E+00 2.878123E+02 2.087054E+04 1.097133E+00 2.879500E+02 2.001966E+04 1.015198E+00 2.880878E+02 1.953207E+04 9.697811E-01 2.882255E+02 1.960817E+04 9.818318E-01 2.883633E+02 1.942307E+04 9.670669E-01 2.885010E+02 1.948345E+04 9.775345E-01 2.886388E+02 1.997199E+04 1.032442E+00 2.887766E+02 1.981372E+04 1.020434E+00 2.889143E+02 1.936896E+04 9.784100E-01 2.890521E+02 1.949835E+04 9.962263E-01 2.891898E+02 1.930925E+04 9.806604E-01 2.893276E+02 1.936916E+04 9.912434E-01 2.894653E+02 1.987151E+04 1.048739E+00 2.896031E+02 1.993587E+04 1.060077E+00 2.897408E+02 2.107731E+04 1.186359E+00 2.898786E+02 2.173612E+04 1.261859E+00 2.900164E+02 2.259131E+04 1.358973E+00 2.901541E+02 2.308979E+04 1.418301E+00 2.902919E+02 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2.938735E+02 2.087173E+04 1.317932E+00 2.940113E+02 2.066783E+04 1.299018E+00 2.941490E+02 2.086087E+04 1.327356E+00 2.942868E+02 2.052364E+04 1.292317E+00 2.944246E+02 2.046762E+04 1.290833E+00 2.945623E+02 2.056369E+04 1.307675E+00 2.947001E+02 2.034043E+04 1.285935E+00 2.948378E+02 2.026029E+04 1.281416E+00 2.949756E+02 2.079990E+04 1.352438E+00 2.951133E+02 2.083650E+04 1.362368E+00 2.952511E+02 2.098523E+04 1.386118E+00 2.953889E+02 2.100485E+04 1.394099E+00 2.955266E+02 2.133827E+04 1.440927E+00 2.956644E+02 2.129050E+04 1.440746E+00 2.958021E+02 2.138808E+04 1.458646E+00 2.959399E+02 2.163223E+04 1.494968E+00 2.960776E+02 2.163039E+04 1.500665E+00 2.962154E+02 2.159591E+04 1.502270E+00 2.963531E+02 2.174048E+04 1.526479E+00 2.964909E+02 2.149495E+04 1.501384E+00 2.966287E+02 2.111232E+04 1.458654E+00 2.967664E+02 2.096369E+04 1.445467E+00 2.969042E+02 2.105854E+04 1.463354E+00 2.970419E+02 2.090139E+04 1.448950E+00 2.971797E+02 2.060757E+04 1.416795E+00 2.973174E+02 2.073374E+04 1.438753E+00 2.974552E+02 2.014477E+04 1.367957E+00 2.975930E+02 2.024837E+04 1.386911E+00 2.977307E+02 2.032054E+04 1.401866E+00 2.978685E+02 1.997066E+04 1.361510E+00 2.980062E+02 2.002814E+04 1.374501E+00 2.981440E+02 1.996072E+04 1.371054E+00 2.982817E+02 2.010476E+04 1.395606E+00 2.984195E+02 1.997382E+04 1.383710E+00 2.985573E+02 2.011691E+04 1.408306E+00 2.986950E+02 1.976926E+04 1.367287E+00 2.988328E+02 1.980641E+04 1.377708E+00 2.989705E+02 1.973312E+04 1.373277E+00 2.991083E+02 1.994518E+04 1.407431E+00 2.992460E+02 2.000175E+04 1.420674E+00 2.993838E+02 1.995217E+04 1.419511E+00 2.995215E+02 1.985570E+04 1.411905E+00 2.996593E+02 2.001074E+04 1.438754E+00 2.997971E+02 1.998695E+04 1.441129E+00 2.999348E+02 1.969539E+04 1.406481E+00 3.000726E+02 1.974623E+04 1.419069E+00 3.002103E+02 1.984470E+04 1.438352E+00 3.003481E+02 1.963025E+04 1.414039E+00 3.004858E+02 1.964239E+04 1.421293E+00 3.006236E+02 1.974287E+04 1.441003E+00 3.007614E+02 1.955709E+04 1.420424E+00 3.008991E+02 1.945827E+04 1.411996E+00 3.010369E+02 1.967835E+04 1.448808E+00 3.011746E+02 1.966614E+04 1.452727E+00 3.013124E+02 1.956337E+04 1.443693E+00 3.014501E+02 1.962865E+04 1.458704E+00 3.015879E+02 1.961672E+04 1.462671E+00 3.017256E+02 1.970173E+04 1.480660E+00 3.018634E+02 1.967494E+04 1.482530E+00 3.020012E+02 1.965175E+04 1.484915E+00 3.021389E+02 1.954654E+04 1.475312E+00 3.022767E+02 1.952455E+04 1.477819E+00 3.024144E+02 1.957269E+04 1.490635E+00 3.025522E+02 1.956641E+04 1.495487E+00 3.026899E+02 1.942576E+04 1.480449E+00 3.028277E+02 1.959944E+04 1.511997E+00 3.029655E+02 1.961723E+04 1.520492E+00 3.031032E+02 1.950103E+04 1.508974E+00 3.032410E+02 1.952299E+04 1.518099E+00 3.033787E+02 1.929853E+04 1.490139E+00 3.035165E+02 1.921859E+04 1.483812E+00 3.036542E+02 1.927640E+04 1.498314E+00 3.037920E+02 1.938765E+04 1.521028E+00 3.039297E+02 1.902991E+04 1.472248E+00 3.040675E+02 1.890161E+04 1.458272E+00 3.042053E+02 1.907385E+04 1.490393E+00 3.043430E+02 1.918058E+04 1.512603E+00 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