********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: c-C4H9N * Name: Pyrrolidine * Edge: N 1s * Alpha Formula: C4H9N * Data Source: Hitchcock * Filename: pq-0nnkk.os * Ref. Code: NIH86 * Write Date: 98/08/07 * Reference: Can. J. Chem. 64 (86) 1145. * Source and Purity: (borrowed) * Acquisition Mode: EELS, 2 deg, 2500eV CRE mode, 0.7eV fwhm *-------------------------------------------------------------- * No. of Spectra: 2 name1- 0pqn.n4 name2- 0pqn.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 3.946090E+02 4.505200E+00 -5.747445E-03 3.947680E+02 4.505600E+00 3.330665E-05 3.949270E+02 4.472900E+00 -1.603637E-02 3.950860E+02 4.501300E+00 8.262940E-03 3.952450E+02 4.498200E+00 1.175740E-02 3.954040E+02 4.480600E+00 5.605304E-03 3.955630E+02 4.455200E+00 -5.794506E-03 3.957220E+02 4.444000E+00 -7.767711E-03 3.958810E+02 4.463900E+00 1.108963E-02 3.960400E+02 4.438900E+00 -1.541641E-04 3.961990E+02 4.423700E+00 -4.863862E-03 3.963580E+02 4.422600E+00 -8.567788E-05 3.965170E+02 4.439500E+00 1.689126E-02 3.966760E+02 4.417500E+00 7.532353E-03 3.968350E+02 4.378700E+00 -1.331953E-02 3.969940E+02 4.393000E+00 1.936818E-03 3.971530E+02 4.378900E+00 -2.165964E-03 3.973120E+02 4.371700E+00 -1.573404E-03 3.974710E+02 4.361500E+00 -3.053316E-03 3.976300E+02 4.356300E+00 -1.108768E-03 3.977890E+02 4.347800E+00 -1.447426E-03 3.979480E+02 4.358700E+00 1.163075E-02 3.981070E+02 4.322400E+00 -7.999992E-03 3.982660E+02 4.294800E+00 -2.168827E-02 3.984250E+02 4.274700E+00 -3.022587E-02 3.985840E+02 4.296600E+00 -9.450627E-03 3.987430E+02 4.288200E+00 -9.825848E-03 3.989020E+02 4.290900E+00 -2.416437E-03 3.990610E+02 4.296600E+00 7.128768E-03 3.992200E+02 4.276000E+00 -1.863008E-03 3.993790E+02 4.296700E+00 1.832215E-02 3.995380E+02 4.268800E+00 4.106071E-03 3.996970E+02 4.220600E+00 -2.463317E-02 3.998560E+02 4.272800E+00 1.806715E-02 4.000150E+02 4.274700E+00 2.500892E-02 4.001740E+02 4.332100E+00 7.174089E-02 4.003330E+02 4.430600E+00 1.482134E-01 4.004920E+02 4.656100E+00 3.165021E-01 4.006510E+02 4.977200E+00 5.546135E-01 4.008100E+02 5.215600E+00 7.340301E-01 4.009690E+02 5.374200E+00 8.564198E-01 4.011280E+02 5.349400E+00 8.460214E-01 4.012870E+02 5.202100E+00 7.462527E-01 4.014460E+02 4.989800E+00 5.984782E-01 4.016050E+02 4.817200E+00 4.790440E-01 4.017640E+02 4.739800E+00 4.289173E-01 4.019230E+02 4.782800E+00 4.671603E-01 4.020820E+02 4.885200E+00 5.494066E-01 4.022410E+02 4.981900E+00 6.278222E-01 4.024000E+02 5.131100E+00 7.455341E-01 4.025590E+02 5.295300E+00 8.749532E-01 4.027180E+02 5.351300E+00 9.243578E-01 4.028770E+02 5.468500E+00 1.019702E+00 4.030360E+02 5.669300E+00 1.178088E+00 4.031950E+02 5.799900E+00 1.284533E+00 4.033540E+02 6.086100E+00 1.508556E+00 4.035130E+02 6.347500E+00 1.714941E+00 4.036720E+02 6.644000E+00 1.948848E+00 4.038310E+02 6.844200E+00 2.110876E+00 4.039900E+02 7.123900E+00 2.334068E+00 4.041490E+02 7.261700E+00 2.450242E+00 4.043080E+02 7.350400E+00 2.529464E+00 4.044670E+02 7.394800E+00 2.575133E+00 4.046260E+02 7.400100E+00 2.590997E+00 4.047850E+02 7.265100E+00 2.499005E+00 4.049440E+02 7.236500E+00 2.488564E+00 4.051030E+02 7.095500E+00 2.391180E+00 4.052620E+02 6.924000E+00 2.269665E+00 4.054210E+02 6.739200E+00 2.137204E+00 4.055800E+02 6.634500E+00 2.066425E+00 4.057390E+02 6.466300E+00 1.945728E+00 4.058980E+02 6.367700E+00 1.878859E+00 4.060570E+02 6.202700E+00 1.759575E+00 4.062160E+02 6.145900E+00 1.724734E+00 4.063750E+02 6.106600E+00 1.703488E+00 4.065340E+02 6.043800E+00 1.663555E+00 4.066930E+02 5.971900E+00 1.616199E+00 4.068520E+02 5.976200E+00 1.629065E+00 4.070110E+02 6.002000E+00 1.659073E+00 4.071700E+02 6.011200E+00 1.675965E+00 4.073290E+02 6.014300E+00 1.688037E+00 4.074880E+02 6.015700E+00 1.698780E+00 4.076470E+02 5.965300E+00 1.667942E+00 4.078060E+02 6.073200E+00 1.764391E+00 4.079650E+02 6.014000E+00 1.726412E+00 4.081240E+02 6.000100E+00 1.724874E+00 4.082830E+02 6.029100E+00 1.758098E+00 4.084420E+02 5.988500E+00 1.734875E+00 4.086010E+02 5.943300E+00 1.707769E+00 4.087600E+02 5.958900E+00 1.730171E+00 4.089190E+02 5.901500E+00 1.692883E+00 4.090780E+02 5.847000E+00 1.657770E+00 4.092370E+02 5.786900E+00 1.617856E+00 4.093960E+02 5.772400E+00 1.615336E+00 4.095550E+02 5.708900E+00 1.572271E+00 4.097140E+02 5.655500E+00 1.537345E+00 4.098730E+02 5.672000E+00 1.560295E+00 4.100320E+02 5.611500E+00 1.519215E+00 4.101910E+02 5.577400E+00 1.499951E+00 4.103500E+02 5.484200E+00 1.431122E+00 4.105090E+02 5.488600E+00 1.443796E+00 4.106680E+02 5.422800E+00 1.397493E+00 4.108270E+02 5.402300E+00 1.389119E+00 4.109860E+02 5.313100E+00 1.322652E+00 4.111450E+02 5.305500E+00 1.324938E+00 4.113040E+02 5.295600E+00 1.325262E+00 4.114630E+02 5.254500E+00 1.299022E+00 4.116220E+02 5.209500E+00 1.269308E+00 4.117810E+02 5.142500E+00 1.220624E+00 4.119400E+02 5.126000E+00 1.214960E+00 4.120990E+02 5.127200E+00 1.224451E+00 4.122580E+02 5.065800E+00 1.180068E+00 4.124170E+02 5.036600E+00 1.163243E+00 4.125760E+02 5.050400E+00 1.183516E+00 4.127350E+02 5.008100E+00 1.155218E+00 4.128940E+02 4.935600E+00 1.100516E+00 4.130530E+02 4.937800E+00 1.110616E+00 4.132120E+02 4.927400E+00 1.109741E+00 4.133710E+02 4.866400E+00 1.064544E+00 4.135300E+02 4.849400E+00 1.057723E+00 4.136890E+02 4.847400E+00 1.064044E+00 4.138480E+02 4.821700E+00 1.049479E+00 4.140070E+02 4.795300E+00 1.034206E+00 4.141660E+02 4.763100E+00 1.013703E+00 4.143250E+02 4.781900E+00 1.038372E+00 4.144840E+02 4.706800E+00 9.795583E-01 4.146430E+02 4.753500E+00 1.029115E+00 4.148020E+02 4.756000E+00 1.039359E+00 4.149610E+02 4.691900E+00 9.899309E-01 4.151200E+02 4.683100E+00 9.899389E-01 4.152790E+02 4.636700E+00 9.560618E-01 4.154380E+02 4.638600E+00 9.656110E-01 4.155970E+02 4.624700E+00 9.608884E-01 4.157560E+02 4.624900E+00 9.689153E-01 4.159150E+02 4.592900E+00 9.476832E-01 4.160740E+02 4.579700E+00 9.434659E-01 4.162330E+02 4.587100E+00 9.580278E-01 4.163920E+02 4.535000E+00 9.181575E-01 4.165510E+02 4.517500E+00 9.098369E-01 4.167100E+02 4.526800E+00 9.261147E-01 4.168690E+02 4.488600E+00 8.986474E-01 4.170280E+02 4.480400E+00 8.987640E-01 4.171870E+02 4.434900E+00 8.643017E-01 4.173460E+02 4.437500E+00 8.743298E-01 4.175050E+02 4.478600E+00 9.202257E-01 4.176640E+02 4.418700E+00 8.720786E-01 4.178230E+02 4.422400E+00 8.831694E-01 4.179820E+02 4.420800E+00 8.893263E-01 4.181410E+02 4.377200E+00 8.560272E-01 4.183000E+02 4.400600E+00 8.856589E-01 4.184590E+02 4.373600E+00 8.678316E-01 4.186180E+02 4.383400E+00 8.847246E-01 4.187770E+02 4.358500E+00 8.687643E-01 4.189360E+02 4.307200E+00 8.276114E-01 4.190950E+02 4.296300E+00 8.247477E-01 4.192540E+02 4.266600E+00 8.038951E-01 4.194130E+02 4.291400E+00 8.351083E-01 4.195720E+02 4.272500E+00 8.245110E-01 4.197310E+02 4.226000E+00 7.872961E-01 4.198900E+02 4.253100E+00 8.208565E-01 4.200490E+02 4.265300E+00 8.401542E-01 4.202080E+02 4.217000E+00 8.009172E-01 4.203670E+02 4.209200E+00 8.008029E-01 4.205260E+02 4.215400E+00 8.142971E-01 4.206850E+02 4.174400E+00 7.817912E-01 4.208440E+02 4.185400E+00 7.999622E-01 4.210030E+02 4.162600E+00 7.850732E-01 4.211620E+02 4.162300E+00 7.922008E-01 4.213210E+02 4.158000E+00 7.954066E-01 4.214800E+02 4.107600E+00 7.531097E-01 4.216390E+02 4.142700E+00 7.951807E-01 4.217980E+02 4.110300E+00 7.704986E-01 4.219570E+02 4.114200E+00 7.817619E-01 4.221160E+02 4.089800E+00 7.648680E-01 4.222750E+02 4.133200E+00 8.155780E-01 4.224340E+02 4.067800E+00 7.576150E-01 4.225930E+02 4.053600E+00 7.507271E-01 4.227520E+02 4.060600E+00 7.651079E-01 4.229110E+02 4.046700E+00 7.584734E-01 4.230700E+02 4.019800E+00 7.386585E-01 4.232290E+02 4.022500E+00 7.487050E-01 4.233880E+02 4.039300E+00 7.730906E-01 4.235470E+02 4.014200E+00 7.549503E-01 4.237060E+02 3.990000E+00 7.376262E-01 4.238650E+02 3.996700E+00 7.517835E-01 4.240240E+02 3.967300E+00 7.290108E-01 4.241830E+02 3.984400E+00 7.538586E-01 4.243420E+02 3.957400E+00 7.334211E-01 4.245010E+02 3.946500E+00 7.294778E-01 4.246600E+02 3.964300E+00 7.551711E-01 4.248190E+02 3.957000E+00 7.549570E-01 4.249780E+02 3.900400E+00 7.035197E-01 4.251370E+02 3.926800E+00 7.382334E-01 4.252960E+02 3.856700E+00 6.723983E-01 4.254550E+02 3.879700E+00 7.036114E-01 4.256140E+02 3.886000E+00 7.174482E-01 4.257730E+02 3.861800E+00 6.992840E-01 4.259320E+02 3.854900E+00 6.992381E-01 4.260910E+02 3.856700E+00 7.083586E-01 4.262500E+02 3.913000E+00 7.751655E-01 4.264090E+02 3.809400E+00 6.727009E-01 4.265680E+02 3.796300E+00 6.659363E-01 4.267270E+02 3.772300E+00 6.475127E-01 4.268860E+02 3.792200E+00 6.758627E-01 4.270450E+02 3.803900E+00 6.955527E-01 4.272040E+02 3.782300E+00 6.795946E-01 4.273630E+02 3.754800E+00 6.572030E-01 4.275220E+02 3.753600E+00 6.630339E-01 4.276810E+02 3.744200E+00 6.600187E-01 4.278400E+02 3.723000E+00 6.441983E-01 4.279990E+02 3.764200E+00 6.959977E-01 4.281580E+02 3.732000E+00 6.681914E-01 4.283170E+02 3.720900E+00 6.632411E-01 4.284760E+02 3.699000E+00 6.464529E-01 4.286350E+02 3.703700E+00 6.586998E-01 4.287940E+02 3.670800E+00 6.297169E-01 4.289530E+02 3.680200E+00 6.471194E-01 4.291120E+02 3.676100E+00 6.497003E-01 4.292710E+02 3.694600E+00 6.772532E-01 4.294300E+02 3.642300E+00 6.264920E-01 4.295890E+02 3.647900E+00 6.397641E-01 4.297470E+02 3.609300E+00 6.038535E-01 4.299060E+02 3.618400E+00 6.210057E-01 4.300650E+02 3.621800E+00 6.318487E-01 4.302240E+02 3.637100E+00 6.560581E-01 4.303830E+02 3.563800E+00 5.808688E-01 4.305420E+02 3.572600E+00 5.977238E-01 4.307010E+02 3.596900E+00 6.321263E-01 4.308600E+02 3.550000E+00 5.861664E-01 4.310190E+02 3.588000E+00 6.361943E-01 4.311780E+02 3.546300E+00 5.959084E-01 4.313370E+02 3.539100E+00 5.946982E-01 4.314960E+02 3.541800E+00 6.047625E-01 4.316550E+02 3.518300E+00 5.848945E-01 4.318140E+02 3.538300E+00 6.147802E-01 4.319730E+02 3.524400E+00 6.058414E-01 4.321320E+02 3.493600E+00 5.773869E-01 4.322910E+02 3.492800E+00 5.834088E-01 4.324500E+02 3.511000E+00 6.114200E-01 4.326090E+02 3.503500E+00 6.097477E-01 4.327680E+02 3.493600E+00 6.052636E-01 4.329270E+02 3.526600E+00 6.507036E-01 4.330860E+02 3.463400E+00 5.840477E-01 4.332450E+02 3.462000E+00 5.893713E-01 4.334040E+02 3.460100E+00 5.941173E-01 4.335630E+02 3.448500E+00 5.874695E-01 4.337220E+02 3.452800E+00 5.995038E-01 4.338810E+02 3.451400E+00 6.048491E-01 4.340400E+02 3.391900E+00 5.414594E-01 4.341990E+02 3.405000E+00 5.638598E-01 4.343580E+02 3.437000E+00 6.088101E-01 4.345170E+02 3.369000E+00 5.348248E-01 4.346760E+02 3.401100E+00 5.800016E-01 4.348350E+02 3.398800E+00 5.842035E-01 4.349940E+02 3.358100E+00 5.423543E-01 4.351530E+02 3.387900E+00 5.850460E-01 4.353120E+02 3.378200E+00 5.803257E-01 4.354710E+02 3.379600E+00 5.889716E-01 4.356300E+02 3.391600E+00 6.104692E-01 4.357890E+02 3.360600E+00 5.798927E-01 4.359480E+02 3.342200E+00 5.644795E-01 4.361070E+02 3.323000E+00 5.480068E-01 4.362660E+02 3.378300E+00 6.224205E-01 4.364250E+02 3.321100E+00 5.594649E-01 4.365840E+02 3.301800E+00 5.427018E-01 4.367430E+02 3.281700E+00 5.248628E-01 4.369020E+02 3.303400E+00 5.584343E-01 4.370610E+02 3.313900E+00 5.783104E-01 4.372200E+02 3.279100E+00 5.421900E-01 4.373790E+02 3.257500E+00 5.222671E-01 4.375380E+02 3.266200E+00 5.399125E-01 4.376970E+02 3.250900E+00 5.277150E-01 4.378560E+02 3.243400E+00 5.251892E-01 4.380150E+02 3.239700E+00 5.273946E-01 4.381740E+02 3.269900E+00 5.721219E-01 4.383330E+02 3.251300E+00 5.556769E-01 4.384920E+02 3.223500E+00 5.275496E-01 4.386510E+02 3.163500E+00 4.586136E-01 4.388100E+02 3.237900E+00 5.594769E-01 4.389690E+02 3.186500E+00 5.011830E-01 4.391280E+02 3.208700E+00 5.361935E-01 4.392870E+02 3.206500E+00 5.402529E-01 4.394460E+02 3.167900E+00 4.978273E-01 4.396050E+02 3.161500E+00 4.964123E-01 4.397640E+02 3.173500E+00 5.185814E-01 4.399230E+02 3.171200E+00 5.224488E-01 4.400820E+02 3.148200E+00 4.996437E-01 4.402410E+02 3.155100E+00 5.153378E-01