********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: c-C4H5N * Name: Pyrrole * Edge: N 1s * Alpha Formula: C4H5N * Data Source: Hitchcock * Filename: po-0nnkk.os * Ref. Code: NIH86 * Write Date: 93/06/23 * Reference: Can. J. Chem. 64 (86) 1145. * Source and Purity: (borrowed) * Acquisition Mode: EELS, 2 deg., 2500 eV CRE, 0.7 eV fwhm *-------------------------------------------------------------- * No. of Spectra: 2 name1- 0po.n4 name2- 0pon.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 3.962730E+02 1.569400E+01 5.404989E-03 3.964280E+02 1.568000E+01 6.663674E-03 3.965830E+02 1.536000E+01 -3.508938E-02 3.967380E+02 1.558700E+01 3.472197E-05 3.968930E+02 1.544000E+01 -1.745608E-02 3.970480E+02 1.531100E+01 -3.245235E-02 3.972030E+02 1.571000E+01 2.708786E-02 3.973580E+02 1.559500E+01 1.408390E-02 3.975140E+02 1.558800E+01 1.635780E-02 3.976690E+02 1.539500E+01 -7.752386E-03 3.978240E+02 1.549000E+01 8.950398E-03 3.979790E+02 1.521800E+01 -2.645718E-02 3.981340E+02 1.525200E+01 -1.841975E-02 3.982890E+02 1.513700E+01 -3.158819E-02 3.984440E+02 1.539800E+01 8.828789E-03 3.985990E+02 1.544900E+01 1.935728E-02 3.987540E+02 1.505400E+01 -3.384634E-02 3.989090E+02 1.538900E+01 1.729697E-02 3.990640E+02 1.541700E+01 2.457003E-02 3.992200E+02 1.513700E+01 -1.230734E-02 3.993750E+02 1.516200E+01 -5.488316E-03 3.995300E+02 1.512900E+01 -6.996318E-03 3.996850E+02 1.517500E+01 2.864192E-03 3.998400E+02 1.500100E+01 -1.896786E-02 3.999950E+02 1.493600E+01 -2.512324E-02 4.001500E+02 1.512100E+01 4.828220E-03 4.003050E+02 1.509900E+01 4.902320E-03 4.004600E+02 1.533900E+01 4.292260E-02 4.006150E+02 1.513000E+01 1.591952E-02 4.007700E+02 1.525200E+01 3.690644E-02 4.009260E+02 1.568200E+01 1.027343E-01 4.010810E+02 1.584300E+01 1.295460E-01 4.012360E+02 1.604000E+01 1.616643E-01 4.013910E+02 1.688300E+01 2.880967E-01 4.015460E+02 1.826000E+01 4.928221E-01 4.017010E+02 2.143800E+01 9.613932E-01 4.018560E+02 2.507800E+01 1.498716E+00 4.020110E+02 2.919000E+01 2.106499E+00 4.021660E+02 3.218500E+01 2.551799E+00 4.023210E+02 3.260500E+01 2.619812E+00 4.024760E+02 3.103700E+01 2.395540E+00 4.026320E+02 2.746200E+01 1.875175E+00 4.027870E+02 2.359000E+01 1.309736E+00 4.029420E+02 2.065800E+01 8.817182E-01 4.030970E+02 1.874700E+01 6.035869E-01 4.032520E+02 1.725300E+01 3.864999E-01 4.034070E+02 1.690600E+01 3.388269E-01 4.035620E+02 1.681200E+01 3.285652E-01 4.037170E+02 1.686200E+01 3.396605E-01 4.038720E+02 1.695100E+01 3.565781E-01 4.040270E+02 1.676400E+01 3.324476E-01 4.041820E+02 1.703800E+01 3.769617E-01 4.043380E+02 1.688500E+01 3.578889E-01 4.044930E+02 1.695500E+01 3.720574E-01 4.046480E+02 1.721300E+01 4.143741E-01 4.048030E+02 1.725400E+01 4.242938E-01 4.049580E+02 1.751800E+01 4.676657E-01 4.051130E+02 1.775400E+01 5.069340E-01 4.052680E+02 1.838500E+01 6.056497E-01 4.054230E+02 1.885500E+01 6.803721E-01 4.055780E+02 1.938100E+01 7.637028E-01 4.057330E+02 2.028200E+01 9.037780E-01 4.058880E+02 2.115700E+01 1.040254E+00 4.060440E+02 2.158300E+01 1.109206E+00 4.061990E+02 2.216200E+01 1.201442E+00 4.063540E+02 2.250600E+01 1.258284E+00 4.065090E+02 2.331200E+01 1.385339E+00 4.066640E+02 2.325100E+01 1.381012E+00 4.068190E+02 2.328900E+01 1.391723E+00 4.069740E+02 2.290600E+01 1.338364E+00 4.071290E+02 2.301300E+01 1.359557E+00 4.072840E+02 2.264300E+01 1.308008E+00 4.074390E+02 2.236900E+01 1.271000E+00 4.075940E+02 2.195100E+01 1.211875E+00 4.077500E+02 2.166500E+01 1.172850E+00 4.079050E+02 2.128300E+01 1.118980E+00 4.080600E+02 2.113000E+01 1.100127E+00 4.082150E+02 2.047100E+01 1.003470E+00 4.083700E+02 2.024100E+01 9.725829E-01 4.085250E+02 1.987000E+01 9.199011E-01 4.086800E+02 1.995000E+01 9.366410E-01 4.088350E+02 1.975400E+01 9.108031E-01 4.089900E+02 1.984400E+01 9.291087E-01 4.091450E+02 1.961200E+01 8.976222E-01 4.093000E+02 1.977000E+01 9.264824E-01 4.094560E+02 1.933300E+01 8.631411E-01 4.096110E+02 1.940200E+01 8.781988E-01 4.097660E+02 1.942400E+01 8.859802E-01 4.099210E+02 1.881000E+01 7.947762E-01 4.100760E+02 1.921600E+01 8.623133E-01 4.102310E+02 1.921100E+01 8.658789E-01 4.103860E+02 1.905700E+01 8.461736E-01 4.105410E+02 1.915900E+01 8.664543E-01 4.106960E+02 1.906400E+01 8.559341E-01 4.108510E+02 1.890000E+01 8.345693E-01 4.110060E+02 1.928200E+01 8.988370E-01 4.111610E+02 1.926700E+01 9.008744E-01 4.113170E+02 1.907900E+01 8.757274E-01 4.114720E+02 1.915500E+01 8.920655E-01 4.116270E+02 1.898500E+01 8.696525E-01 4.117820E+02 1.899800E+01 8.760688E-01 4.119370E+02 1.924900E+01 9.201085E-01 4.120920E+02 1.908900E+01 8.992192E-01 4.122470E+02 1.935500E+01 9.457557E-01 4.124020E+02 1.910800E+01 9.110423E-01 4.125570E+02 1.910200E+01 9.145072E-01 4.127120E+02 1.926900E+01 9.454752E-01 4.128670E+02 1.916000E+01 9.325895E-01 4.130230E+02 1.914800E+01 9.351524E-01 4.131780E+02 1.880700E+01 8.852097E-01 4.133330E+02 1.909800E+01 9.360735E-01 4.134880E+02 1.915900E+01 9.502796E-01 4.136430E+02 1.882300E+01 9.009687E-01 4.137980E+02 1.912600E+01 9.539383E-01 4.139530E+02 1.897300E+01 9.338686E-01 4.141080E+02 1.879500E+01 9.097334E-01 4.142630E+02 1.875300E+01 9.074075E-01 4.144180E+02 1.853100E+01 8.760938E-01 4.145730E+02 1.857500E+01 8.875767E-01 4.147290E+02 1.848300E+01 8.771651E-01 4.148840E+02 1.850500E+01 8.851137E-01 4.150390E+02 1.870900E+01 9.225124E-01 4.151940E+02 1.838800E+01 8.749843E-01 4.153490E+02 1.865900E+01 9.233115E-01 4.155040E+02 1.844900E+01 8.936807E-01 4.156590E+02 1.840100E+01 8.903003E-01 4.158140E+02 1.836500E+01 8.888604E-01 4.159690E+02 1.823000E+01 8.712900E-01 4.161240E+02 1.817000E+01 8.659041E-01 4.162790E+02 1.804700E+01 8.502176E-01 4.164350E+02 1.789900E+01 8.304338E-01 4.165900E+02 1.797000E+01 8.464027E-01 4.167450E+02 1.781200E+01 8.248948E-01 4.169000E+02 1.776000E+01 8.207163E-01 4.170550E+02 1.763200E+01 8.040468E-01 4.172100E+02 1.759600E+01 8.024566E-01 4.173650E+02 1.748800E+01 7.890116E-01 4.175200E+02 1.768200E+01 8.252822E-01 4.176750E+02 1.731100E+01 7.684489E-01 4.178300E+02 1.735800E+01 7.804995E-01 4.179850E+02 1.731100E+01 7.770357E-01 4.181410E+02 1.736400E+01 7.901375E-01 4.182960E+02 1.679400E+01 7.000155E-01 4.184510E+02 1.726200E+01 7.818618E-01 4.186060E+02 1.696200E+01 7.363538E-01 4.187610E+02 1.690000E+01 7.303067E-01 4.189160E+02 1.698300E+01 7.483764E-01 4.190710E+02 1.684900E+01 7.303251E-01 4.192260E+02 1.689400E+01 7.420892E-01 4.193810E+02 1.663100E+01 7.024360E-01 4.195360E+02 1.666300E+01 7.120146E-01 4.196910E+02 1.654200E+01 6.959994E-01 4.198470E+02 1.658400E+01 7.072873E-01 4.200020E+02 1.663900E+01 7.207532E-01 4.201570E+02 1.638600E+01 6.825096E-01 4.203120E+02 1.655500E+01 7.151402E-01 4.204670E+02 1.641800E+01 6.963246E-01 4.206220E+02 1.648700E+01 7.121835E-01 4.207770E+02 1.624400E+01 6.754289E-01 4.209320E+02 1.604800E+01 6.465261E-01 4.210870E+02 1.625600E+01 6.858798E-01 4.212420E+02 1.607800E+01 6.599636E-01 4.213970E+02 1.589500E+01 6.331378E-01 4.215530E+02 1.614300E+01 6.794151E-01 4.217080E+02 1.590600E+01 6.433688E-01 4.218630E+02 1.583200E+01 6.349608E-01 4.220180E+02 1.592200E+01 6.544564E-01 4.221730E+02 1.587000E+01 6.497855E-01 4.223280E+02 1.581400E+01 6.444178E-01 4.224830E+02 1.573800E+01 6.356171E-01 4.226380E+02 1.573200E+01 6.387667E-01 4.227930E+02 1.554000E+01 6.100681E-01 4.229480E+02 1.541600E+01 5.929593E-01 4.231030E+02 1.575200E+01 6.547598E-01 4.232590E+02 1.579000E+01 6.655191E-01 4.234140E+02 1.567100E+01 6.492643E-01 4.235690E+02 1.566100E+01 6.517409E-01 4.237240E+02 1.536200E+01 6.043922E-01 4.238790E+02 1.520900E+01 5.821336E-01 4.240340E+02 1.527700E+01 5.980111E-01 4.241890E+02 1.522400E+01 5.929882E-01 4.243440E+02 1.557700E+01 6.582668E-01 4.244990E+02 1.524600E+01 6.050918E-01 4.246540E+02 1.503700E+01 5.729700E-01 4.248090E+02 1.504100E+01 5.777881E-01 4.249650E+02 1.501600E+01 5.775950E-01 4.251200E+02 1.521400E+01 6.162116E-01 4.252750E+02 1.514200E+01 6.078324E-01 4.254300E+02 1.497300E+01 5.824979E-01 4.255850E+02 1.494300E+01 5.813950E-01 4.257400E+02 1.488800E+01 5.759121E-01 4.258950E+02 1.483300E+01 5.704138E-01 4.260500E+02 1.478500E+01 5.661269E-01 4.262050E+02 1.496700E+01 6.022036E-01 4.263600E+02 1.466700E+01 5.536480E-01 4.265150E+02 1.479600E+01 5.804608E-01 4.266710E+02 1.473800E+01 5.744174E-01 4.268260E+02 1.452600E+01 5.411742E-01 4.269810E+02 1.454900E+01 5.493394E-01 4.271360E+02 1.472700E+01 5.849140E-01 4.272910E+02 1.459500E+01 5.657156E-01 4.274460E+02 1.479800E+01 6.058108E-01 4.276010E+02 1.432500E+01 5.261163E-01 4.277560E+02 1.468600E+01 5.942988E-01 4.279110E+02 1.448900E+01 5.634591E-01 4.280660E+02 1.441300E+01 5.540758E-01 4.282210E+02 1.465000E+01 6.004214E-01 4.283770E+02 1.446500E+01 5.716416E-01 4.285320E+02 1.452500E+01 5.865051E-01 4.286870E+02 1.432200E+01 5.543941E-01 4.288420E+02 1.437200E+01 5.674762E-01 4.289970E+02 1.411000E+01 5.246972E-01 4.291520E+02 1.428300E+01 5.598254E-01 4.293070E+02 1.410700E+01 5.323748E-01 4.294620E+02 1.437700E+01 5.850165E-01 4.296170E+02 1.428100E+01 5.719203E-01 4.297720E+02 1.416600E+01 5.553690E-01 4.299270E+02 1.408300E+01 5.445479E-01 4.300830E+02 1.387300E+01 5.107991E-01 4.302380E+02 1.401900E+01 5.412846E-01 4.303930E+02 1.406100E+01 5.530178E-01 4.305480E+02 1.384300E+01 5.176799E-01 4.307030E+02 1.399100E+01 5.486277E-01 4.308580E+02 1.401900E+01 5.578570E-01 4.310130E+02 1.399100E+01 5.569265E-01 4.311680E+02 1.389300E+01 5.432548E-01 4.313230E+02 1.388100E+01 5.452133E-01 4.314780E+02 1.375100E+01 5.256571E-01 4.316330E+02 1.376800E+01 5.328880E-01 4.317890E+02 1.378400E+01 5.399759E-01 4.319440E+02 1.362100E+01 5.143011E-01 4.320990E+02 1.386400E+01 5.629266E-01 4.322540E+02 1.355200E+01 5.098937E-01 4.324090E+02 1.376500E+01 5.531086E-01 4.325640E+02 1.359000E+01 5.251162E-01 4.327190E+02 1.368100E+01 5.459936E-01 4.328740E+02 1.363400E+01 5.414985E-01 4.330290E+02 1.372000E+01 5.615120E-01 4.331840E+02 1.343600E+01 5.132729E-01 4.333390E+02 1.347900E+01 5.253472E-01 4.334950E+02 1.359600E+01 5.511611E-01 4.336500E+02 1.358200E+01 5.527419E-01 4.338050E+02 1.337900E+01 5.192831E-01 4.339600E+02 1.328600E+01 5.061632E-01 4.341150E+02 1.337100E+01 5.260845E-01 4.342700E+02 1.336200E+01 5.285618E-01 4.344250E+02 1.329500E+01 5.202406E-01 4.345800E+02 1.320400E+01 5.074238E-01 4.347350E+02 1.326800E+01 5.235023E-01 4.348900E+02 1.332900E+01 5.390539E-01 4.350450E+02 1.312200E+01 5.045095E-01 4.352010E+02 1.309300E+01 5.032411E-01 4.353560E+02 1.313600E+01 5.154371E-01 4.355110E+02 1.326400E+01 5.436078E-01 4.356660E+02 1.323300E+01 5.419667E-01 4.358210E+02 1.293600E+01 4.902935E-01 4.359760E+02 1.301500E+01 5.092943E-01 4.361310E+02 1.308600E+01 5.268256E-01 4.362860E+02 1.305100E+01 5.243917E-01 4.364410E+02 1.291500E+01 5.028702E-01 4.365960E+02 1.300200E+01 5.234687E-01 4.367510E+02 1.295500E+01 5.187413E-01 4.369060E+02 1.275000E+01 4.840565E-01 4.370620E+02 1.285900E+01 5.088937E-01 4.372170E+02 1.285300E+01 5.119125E-01 4.373720E+02 1.269900E+01 4.867938E-01 4.375270E+02 1.290800E+01 5.307144E-01 4.376820E+02 1.293400E+01 5.398557E-01 4.378370E+02 1.262800E+01 4.856788E-01 4.379920E+02 1.287300E+01 5.366082E-01 4.381470E+02 1.282300E+01 5.312461E-01 4.383020E+02 1.280900E+01 5.327594E-01 4.384570E+02 1.267300E+01 5.108973E-01 4.386120E+02 1.268500E+01 5.173725E-01 4.387680E+02 1.255400E+01 4.964263E-01 4.389230E+02 1.269200E+01 5.271150E-01 4.390780E+02 1.257500E+01 5.087945E-01 4.392330E+02 1.253800E+01 5.058429E-01 4.393880E+02 1.267100E+01 5.356685E-01 4.395430E+02 1.245300E+01 4.977876E-01 4.396980E+02 1.273600E+01 5.566558E-01 4.398530E+02 1.261500E+01 5.374774E-01 4.400080E+02 1.218000E+01 4.574314E-01 4.401630E+02 1.254100E+01 5.315639E-01 4.403180E+02 1.253000E+01 5.336397E-01 4.404740E+02 1.235100E+01 5.030959E-01 4.406290E+02 1.239700E+01 5.162284E-01 4.407840E+02 1.232200E+01 5.058203E-01 4.409390E+02 1.238200E+01 5.217080E-01 4.410940E+02 1.208600E+01 4.681413E-01 4.412490E+02 1.227000E+01 5.082453E-01 4.414040E+02 1.229100E+01 5.165489E-01 4.415590E+02 1.204800E+01 4.731711E-01