********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: NO2C6H5 * Name: nitro benzene * Edge: O 1s * Alpha Formula: C6H5NO2 * Data Source: Hitchcock * Filename: nj-0ookk.os * Ref. Code: TUH96 * Write Date: 08/05/98 * Reference: Can. J. Chem. 74 (1996) 851. * Source and Purity: scavenged from chem fume hood * Acquisition Mode: EELS, 2 deg, 2500eV CRE mode, 0.7eV fwhm *-------------------------------------------------------------- * No. of Spectra: 2 name1- 0njo name2- 0njo.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 5.202208E+02 1.693451E+03 1.901720E-02 5.204563E+02 1.776000E+03 3.054215E-02 5.206548E+02 1.608000E+03 -3.625872E-03 5.208534E+02 1.655000E+03 5.374247E-03 5.210520E+02 1.695000E+03 1.002447E-02 5.212505E+02 1.722000E+03 1.362012E-03 5.214491E+02 1.663000E+03 9.702414E-03 5.216477E+02 1.641000E+03 1.420365E-02 5.218463E+02 1.708000E+03 8.070698E-03 5.220449E+02 1.653000E+03 1.482042E-02 5.222434E+02 1.674000E+03 -1.656145E-03 5.224420E+02 1.656000E+03 -2.987329E-02 5.226406E+02 1.648000E+03 1.028711E-02 5.228391E+02 1.669000E+03 -2.664654E-02 5.230377E+02 1.635000E+03 -5.655865E-03 5.232363E+02 1.692000E+03 2.106233E-02 5.234348E+02 1.719000E+03 -2.089143E-03 5.236334E+02 1.648000E+03 -2.176296E-02 5.238320E+02 1.691000E+03 -1.536798E-02 5.240306E+02 1.599000E+03 4.862524E-04 5.242291E+02 1.710000E+03 2.499715E-02 5.244277E+02 1.558000E+03 -2.350640E-02 5.246263E+02 1.614000E+03 -3.354033E-03 5.248248E+02 1.602000E+03 2.945708E-03 5.250234E+02 1.602000E+03 6.676980E-03 5.252220E+02 1.574000E+03 -7.388975E-03 5.254205E+02 1.615000E+03 1.920828E-02 5.256191E+02 1.606000E+03 1.534720E-02 5.258177E+02 1.587000E+03 4.507126E-03 5.260163E+02 1.577000E+03 -1.355925E-02 5.262148E+02 1.649000E+03 8.353392E-03 5.264134E+02 1.641000E+03 1.596890E-02 5.266120E+02 1.627000E+03 -3.969427E-03 5.268105E+02 1.590000E+03 -1.674218E-02 5.270092E+02 1.586000E+03 1.190523E-02 5.272077E+02 1.663000E+03 -3.823730E-03 5.274559E+02 1.542000E+03 -1.854046E-02 5.276545E+02 1.560000E+03 -2.963810E-02 5.278530E+02 1.489000E+03 -1.856618E-02 5.280516E+02 1.596000E+03 -4.317999E-03 5.282502E+02 1.487000E+03 -1.684513E-02 5.284488E+02 1.544000E+03 7.200413E-03 5.286473E+02 1.504000E+03 -6.682070E-03 5.288459E+02 1.602000E+03 1.692011E-02 5.290445E+02 1.577000E+03 2.176989E-02 5.292430E+02 1.558000E+03 2.003594E-02 5.294417E+02 1.618000E+03 1.795544E-02 5.296402E+02 1.632000E+03 6.448075E-02 5.298387E+02 1.734000E+03 1.523558E-01 5.300374E+02 1.922000E+03 3.684122E-01 5.302359E+02 2.333000E+03 7.946519E-01 5.304345E+02 3.046000E+03 1.486799E+00 5.306331E+02 3.869000E+03 2.182746E+00 5.308316E+02 4.437000E+03 2.620938E+00 5.310302E+02 4.492000E+03 2.545924E+00 5.312288E+02 3.983000E+03 2.153328E+00 5.313173E+02 3.588000E+03 1.881833E+00 5.314166E+02 3.235000E+03 1.593135E+00 5.315159E+02 3.031000E+03 1.286021E+00 5.316152E+02 2.634000E+03 1.025903E+00 5.317145E+02 2.379000E+03 8.269036E-01 5.318138E+02 2.294000E+03 6.586966E-01 5.319131E+02 2.035000E+03 5.059571E-01 5.320123E+02 1.929000E+03 3.736733E-01 5.321116E+02 1.736000E+03 2.521012E-01 5.322109E+02 1.728000E+03 1.760702E-01 5.323102E+02 1.621000E+03 1.452428E-01 5.324095E+02 1.642000E+03 1.078950E-01 5.325088E+02 1.694000E+03 9.567156E-02 5.326081E+02 1.554000E+03 7.276428E-02 5.327073E+02 1.547000E+03 6.296007E-02 5.328563E+02 1.545000E+03 5.138444E-02 5.329556E+02 1.510000E+03 5.521920E-02 5.330549E+02 1.548000E+03 4.757416E-02 5.331541E+02 1.570000E+03 4.569133E-02 5.332534E+02 1.545000E+03 4.953282E-02 5.333527E+02 1.509000E+03 4.997597E-02 5.334520E+02 1.568000E+03 5.966783E-02 5.335513E+02 1.574000E+03 6.366313E-02 5.336506E+02 1.671000E+03 8.184455E-02 5.337499E+02 1.757000E+03 1.019187E-01 5.338491E+02 1.657000E+03 1.109791E-01 5.339484E+02 1.679000E+03 1.114407E-01 5.340477E+02 1.656000E+03 9.061953E-02 5.341470E+02 1.623000E+03 9.766036E-02 5.342463E+02 1.686000E+03 8.184732E-02 5.343456E+02 1.599000E+03 1.011930E-01 5.344448E+02 1.612000E+03 1.032462E-01 5.345441E+02 1.619000E+03 8.325034E-02 5.346434E+02 1.554000E+03 5.286290E-02 5.347427E+02 1.547000E+03 5.063250E-02 5.348420E+02 1.568000E+03 5.791410E-02 5.349413E+02 1.567000E+03 7.408316E-02 5.350406E+02 1.595000E+03 1.063460E-01 5.351398E+02 1.497000E+03 8.776925E-02 5.352391E+02 1.714000E+03 1.284666E-01 5.353384E+02 1.640000E+03 1.563009E-01 5.354377E+02 1.706000E+03 1.835266E-01 5.355370E+02 1.717000E+03 2.000944E-01 5.356363E+02 1.745000E+03 1.978569E-01 5.357355E+02 1.791000E+03 2.321748E-01 5.358348E+02 1.825000E+03 2.661265E-01 5.359341E+02 1.853000E+03 2.841452E-01 5.360334E+02 1.822000E+03 3.131501E-01 5.361327E+02 1.899000E+03 3.447144E-01 5.362320E+02 1.907000E+03 3.936181E-01 5.363313E+02 1.879000E+03 4.136088E-01 5.364305E+02 1.888000E+03 4.246020E-01 5.365298E+02 2.026000E+03 4.587556E-01 5.366292E+02 2.021000E+03 4.709333E-01 5.367284E+02 2.080000E+03 5.103230E-01 5.368277E+02 2.055000E+03 5.521469E-01 5.369270E+02 2.162000E+03 5.844561E-01 5.370263E+02 2.099000E+03 6.082962E-01 5.371255E+02 2.164000E+03 6.348474E-01 5.372249E+02 2.310000E+03 6.890708E-01 5.373242E+02 2.271000E+03 7.111032E-01 5.374234E+02 2.216000E+03 7.028068E-01 5.375227E+02 2.347000E+03 7.558902E-01 5.376220E+02 2.364000E+03 8.065851E-01 5.377213E+02 2.365000E+03 8.311720E-01 5.378206E+02 2.348000E+03 8.411443E-01 5.379199E+02 2.397000E+03 8.717403E-01 5.380192E+02 2.511000E+03 8.994783E-01 5.381184E+02 2.445000E+03 8.969933E-01 5.382177E+02 2.429000E+03 9.038857E-01 5.383170E+02 2.444000E+03 8.975785E-01 5.384163E+02 2.537000E+03 9.045585E-01 5.385156E+02 2.390000E+03 8.958986E-01 5.386149E+02 2.351000E+03 9.017169E-01 5.387141E+02 2.495000E+03 9.131145E-01 5.388134E+02 2.443000E+03 8.981789E-01 5.389127E+02 2.534000E+03 9.152864E-01 5.390120E+02 2.459000E+03 9.133294E-01 5.391113E+02 2.429000E+03 8.910642E-01 5.392106E+02 2.340000E+03 9.054630E-01 5.393099E+02 2.458000E+03 8.974420E-01 5.394091E+02 2.399000E+03 9.026349E-01 5.395084E+02 2.482000E+03 9.283971E-01 5.396077E+02 2.549000E+03 9.338444E-01 5.397567E+02 2.447000E+03 9.371501E-01 5.398559E+02 2.447000E+03 9.488662E-01 5.399552E+02 2.524000E+03 9.839000E-01 5.400545E+02 2.514000E+03 1.009269E+00 5.401538E+02 2.524000E+03 1.009045E+00 5.402531E+02 2.550000E+03 1.011160E+00 5.403524E+02 2.539000E+03 1.019506E+00 5.404517E+02 2.545000E+03 1.026235E+00 5.405509E+02 2.607000E+03 1.028639E+00 5.406502E+02 2.522000E+03 1.034698E+00 5.407495E+02 2.590000E+03 1.050675E+00 5.408488E+02 2.521000E+03 1.064974E+00 5.409481E+02 2.627000E+03 1.074690E+00 5.410474E+02 2.600000E+03 1.080058E+00 5.411466E+02 2.558000E+03 1.073517E+00 5.412459E+02 2.626000E+03 1.069264E+00 5.414444E+02 2.609000E+03 1.071102E+00 5.416430E+02 2.593000E+03 1.059173E+00 5.418416E+02 2.539000E+03 1.060723E+00 5.420402E+02 2.542000E+03 1.078358E+00 5.422387E+02 2.528000E+03 1.044442E+00 5.424373E+02 2.462000E+03 1.007163E+00 5.426359E+02 2.480000E+03 9.743766E-01 5.428344E+02 2.388000E+03 9.546587E-01 5.430330E+02 2.391000E+03 9.049128E-01 5.432316E+02 2.293000E+03 9.108153E-01 5.434301E+02 2.363000E+03 8.810311E-01 5.436287E+02 2.308000E+03 8.914328E-01 5.438273E+02 2.301000E+03 8.544167E-01 5.440259E+02 2.325000E+03 8.349883E-01 5.442244E+02 2.390000E+03 8.604010E-01 5.444230E+02 2.271000E+03 8.583928E-01 5.446216E+02 2.195000E+03 8.345246E-01 5.448201E+02 2.271000E+03 8.257527E-01 5.450187E+02 2.164000E+03 7.801387E-01 5.452173E+02 2.264000E+03 7.808803E-01 5.454158E+02 2.187000E+03 7.973000E-01 5.456144E+02 2.146000E+03 8.086323E-01 5.458130E+02 2.099000E+03 7.591826E-01 5.460115E+02 2.048000E+03 7.149391E-01 5.462101E+02 2.078000E+03 6.993911E-01 5.464087E+02 2.077000E+03 6.865217E-01 5.466073E+02 2.118000E+03 7.166182E-01 5.468555E+02 2.077000E+03 6.533718E-01 5.470541E+02 2.020000E+03 6.392824E-01 5.472526E+02 2.003000E+03 6.441414E-01 5.474512E+02 2.004000E+03 6.153797E-01 5.476498E+02 1.970000E+03 6.195900E-01 5.478483E+02 1.971000E+03 6.308593E-01 5.480469E+02 1.984000E+03 6.197599E-01 5.482455E+02 1.978000E+03 6.204260E-01 5.484441E+02 1.928000E+03 5.813769E-01 5.486426E+02 1.878000E+03 5.619553E-01 5.488412E+02 1.943000E+03 5.912350E-01 5.490398E+02 1.934000E+03 5.926284E-01 5.492383E+02 1.814000E+03 5.647418E-01 5.494370E+02 1.813000E+03 5.484921E-01 5.496355E+02 1.978000E+03 5.943587E-01 5.498340E+02 1.915000E+03 5.554065E-01 5.500327E+02 1.883000E+03 5.655156E-01 5.502312E+02 1.891000E+03 5.747430E-01 5.504298E+02 1.818000E+03 5.742890E-01 5.506284E+02 1.906000E+03 5.726324E-01 5.508269E+02 1.846000E+03 5.899292E-01 5.510255E+02 1.914000E+03 5.770907E-01 5.512241E+02 1.835000E+03 5.698169E-01 5.514261E+02 1.789000E+03 5.622220E-01 5.516743E+02 1.875000E+03 5.430162E-01 5.519225E+02 1.791000E+03 5.386762E-01 5.521707E+02 1.796000E+03 5.301787E-01 5.524189E+02 1.836000E+03 5.281960E-01 5.526672E+02 1.796000E+03 5.302263E-01 5.529154E+02 1.755000E+03 5.215297E-01 5.531636E+02 1.794000E+03 5.230014E-01 5.534614E+02 1.730000E+03 5.239295E-01 5.537097E+02 1.831000E+03 5.081161E-01 5.539579E+02 1.800000E+03 5.214729E-01 5.542061E+02 1.827000E+03 5.507994E-01 5.544543E+02 1.820000E+03 5.398456E-01 5.547025E+02 1.720000E+03 5.160102E-01 5.549507E+02 1.749000E+03 5.249138E-01 5.551990E+02 1.821000E+03 5.303200E-01 5.554471E+02 1.764000E+03 5.011564E-01 5.556954E+02 1.733000E+03 4.996324E-01 5.559436E+02 1.732000E+03 5.178474E-01 5.561918E+02 1.745000E+03 5.132377E-01 5.564400E+02 1.713000E+03 4.648393E-01 5.566882E+02 1.631000E+03 4.553576E-01 5.569365E+02 1.787000E+03 4.733917E-01 5.571847E+02 1.671000E+03 4.916143E-01 5.574329E+02 1.685000E+03 4.741883E-01 5.576811E+02 1.624000E+03 4.731972E-01 5.579293E+02 1.662000E+03 4.759393E-01 5.581775E+02 1.647000E+03 4.597422E-01 5.584257E+02 1.657000E+03 4.630353E-01 5.587236E+02 1.585000E+03 4.758055E-01 5.589718E+02 1.696000E+03 4.748774E-01 5.592200E+02 1.682000E+03 4.649943E-01 5.594683E+02 1.641000E+03 4.555202E-01 5.597164E+02 1.666000E+03 4.765989E-01 5.599647E+02 1.606000E+03 4.485863E-01 5.602129E+02 1.595000E+03 4.377279E-01 5.604611E+02 1.604000E+03 4.465024E-01 5.607093E+02 1.606000E+03 4.436244E-01 5.609575E+02 1.657000E+03 4.572468E-01 5.612057E+02 1.537000E+03 4.553264E-01 5.614539E+02 1.585000E+03 4.387667E-01 5.617021E+02 1.554000E+03 4.518828E-01 5.619504E+02 1.654000E+03 4.734617E-01 5.621986E+02 1.605000E+03 4.561469E-01 5.624468E+02 1.475000E+03 4.495727E-01 5.626950E+02 1.552000E+03 4.586367E-01 5.629432E+02 1.516000E+03 4.824780E-01 5.631915E+02 1.560000E+03 4.627958E-01 5.634396E+02 1.600000E+03 4.324703E-01 5.636879E+02 1.552000E+03 4.507943E-01 5.639857E+02 1.523000E+03 4.627757E-01 5.642339E+02 1.506000E+03 4.534405E-01 5.644822E+02 1.582000E+03 4.653410E-01 5.647303E+02 1.665000E+03 4.598291E-01 5.649786E+02 1.532000E+03 4.571182E-01 5.652268E+02 1.562000E+03 4.769818E-01 5.654750E+02 1.542000E+03 4.467726E-01 5.657232E+02 1.563000E+03 4.189070E-01 5.659714E+02 1.538000E+03 4.328470E-01 5.662197E+02 1.477000E+03 4.329939E-01 5.664679E+02 1.450000E+03 4.336656E-01 5.667161E+02 1.458000E+03 4.103784E-01 5.669643E+02 1.445000E+03 4.107821E-01 5.672125E+02 1.500000E+03 4.615903E-01 5.674608E+02 1.571000E+03 4.369517E-01 5.677089E+02 1.390000E+03 4.178337E-01 5.679572E+02 1.517000E+03 4.301871E-01 5.682054E+02 1.484000E+03 4.124640E-01 5.684536E+02 1.530000E+03 4.476984E-01 5.687018E+02 1.475000E+03 4.605314E-01 5.689500E+02 1.444000E+03 4.281029E-01 5.692479E+02 1.563000E+03 4.581812E-01 5.694961E+02 1.504000E+03 4.458176E-01 5.697443E+02 1.468000E+03 4.401118E-01 5.699925E+02 1.548000E+03 4.440208E-01 5.702407E+02 1.578000E+03 4.233822E-01 5.704890E+02 1.389000E+03 4.273475E-01 5.706290E+02 1.440341E+03 4.466312E-01