********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: CF3CN * Name: Trifluoroacetonitrile * Edge: N 1s * Alpha Formula: C2F3N * Data Source: Hitchcock * Filename: nt-0nnkk.os * Ref. Code: HS90 * Write Date: 93/06/10 * Reference: Hitchcock,Stohr (unpublished) * Source and Purity: SCM * Acquisition Mode: EELS, 2 deg., 2500 eV CRE, 0.7 eV fwhm *-------------------------------------------------------------- * No. of Spectra: 2 name1- 0ntn4 name2- 0ntn.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 3.867100E+02 3.077000E+03 -2.462308E-03 3.868990E+02 3.076000E+03 -4.546894E-04 3.870890E+02 3.049000E+03 -9.210283E-03 3.872790E+02 3.005000E+03 -7.784056E-03 3.874680E+02 3.037000E+03 -9.418705E-03 3.876580E+02 2.974000E+03 2.149369E-04 3.878480E+02 3.091000E+03 1.804103E-02 3.880370E+02 2.958000E+03 1.999975E-03 3.882270E+02 2.936000E+03 8.816323E-03 3.884170E+02 3.069000E+03 1.621832E-02 3.886060E+02 2.937000E+03 3.516876E-03 3.887960E+02 2.976000E+03 -1.555123E-02 3.889850E+02 2.991000E+03 -9.613917E-03 3.891750E+02 2.960000E+03 -1.376313E-02 3.893650E+02 2.980000E+03 -9.507042E-03 3.895540E+02 3.019000E+03 9.708680E-03 3.897440E+02 3.009000E+03 7.858919E-03 3.899340E+02 2.949000E+03 -1.568031E-02 3.901230E+02 2.861000E+03 1.661461E-02 3.903130E+02 2.870000E+03 1.025782E-02 3.905030E+02 2.873000E+03 6.500808E-03 3.906920E+02 2.946000E+03 -7.346531E-03 3.908820E+02 2.976000E+03 8.290281E-03 3.910710E+02 2.928000E+03 -1.040994E-02 3.912610E+02 2.861000E+03 1.880574E-03 3.914510E+02 2.825000E+03 1.539230E-02 3.916400E+02 2.897000E+03 -1.692713E-02 3.918300E+02 2.841000E+03 3.346204E-03 3.920200E+02 2.879000E+03 -1.617309E-02 3.922090E+02 2.853000E+03 -7.046813E-03 3.923990E+02 2.876000E+03 -1.669390E-02 3.925890E+02 2.859000E+03 -1.479023E-02 3.927780E+02 2.890000E+03 -5.513773E-03 3.929680E+02 2.803000E+03 5.573556E-03 3.931570E+02 2.879000E+03 -5.602951E-03 3.933470E+02 2.768000E+03 1.659235E-02 3.935370E+02 2.812000E+03 -6.047663E-03 3.937260E+02 2.776000E+03 7.995858E-03 3.939160E+02 2.871000E+03 5.661041E-04 3.941060E+02 2.914000E+03 2.296200E-02 3.942950E+02 2.903000E+03 2.040748E-02 3.944850E+02 2.784000E+03 -5.739320E-03 3.946750E+02 2.770000E+03 -1.728510E-03 3.948640E+02 2.849000E+03 2.742268E-03 3.950540E+02 2.751000E+03 2.136152E-03 3.952430E+02 2.834000E+03 6.865451E-04 3.954330E+02 2.739000E+03 2.768266E-03 3.956230E+02 2.790000E+03 -1.520354E-02 3.958120E+02 2.747000E+03 -6.068154E-03 3.960020E+02 2.873000E+03 2.928065E-02 3.961920E+02 2.774000E+03 -1.547971E-02 3.963810E+02 2.777000E+03 -1.159443E-02 3.965710E+02 2.783000E+03 -6.254903E-03 3.967610E+02 2.766000E+03 -1.198209E-02 3.969500E+02 2.682000E+03 9.979047E-03 3.971400E+02 2.764000E+03 -8.004909E-03 3.973290E+02 2.768000E+03 -3.573872E-03 3.975190E+02 2.682000E+03 2.429574E-03 3.977090E+02 2.722000E+03 -1.968615E-02 3.978980E+02 2.780000E+03 9.807136E-03 3.980880E+02 2.828000E+03 3.599390E-02 3.982780E+02 2.749000E+03 -4.078168E-04 3.984670E+02 2.973000E+03 1.130783E-01 3.986570E+02 2.968000E+03 1.134314E-01 3.988470E+02 3.399000E+03 3.310913E-01 3.990360E+02 4.302000E+03 7.859637E-01 3.992260E+02 5.591000E+03 1.437027E+00 3.994150E+02 8.027000E+03 2.668579E+00 3.996050E+02 1.082200E+04 4.088384E+00 3.997950E+02 1.258200E+04 4.993050E+00 3.999840E+02 1.192700E+04 4.677921E+00 4.001740E+02 9.316000E+03 3.365884E+00 4.003640E+02 6.592000E+03 1.988444E+00 4.005530E+02 4.960000E+03 1.161657E+00 4.007430E+02 4.086000E+03 7.190397E-01 4.009330E+02 3.826000E+03 5.898505E-01 4.011220E+02 3.854000E+03 6.085601E-01 4.013120E+02 3.621000E+03 4.922564E-01 4.015010E+02 3.488000E+03 4.271537E-01 4.016910E+02 3.385000E+03 3.772936E-01 4.018810E+02 2.887000E+03 1.208433E-01 4.020700E+02 2.809000E+03 8.288340E-02 4.022600E+02 2.714000E+03 3.577080E-02 4.024500E+02 2.757000E+03 6.106582E-02 4.026390E+02 2.901000E+03 1.398615E-01 4.028290E+02 2.946000E+03 1.666557E-01 4.030190E+02 2.952000E+03 1.728771E-01 4.032080E+02 3.076000E+03 2.420256E-01 4.033980E+02 2.861000E+03 1.303543E-01 4.035870E+02 3.059000E+03 2.394170E-01 4.037770E+02 2.818000E+03 1.130846E-01 4.039670E+02 2.730000E+03 6.851583E-02 4.041560E+02 2.740000E+03 7.668255E-02 4.043460E+02 2.762000E+03 9.140468E-02 4.045360E+02 2.867000E+03 1.513248E-01 4.047250E+02 3.181000E+03 3.255966E-01 4.049150E+02 3.155000E+03 3.148741E-01 4.051050E+02 3.247000E+03 3.688277E-01 4.052940E+02 3.162000E+03 3.256944E-01 4.054840E+02 3.226000E+03 3.645137E-01 4.056730E+02 3.195000E+03 3.509639E-01 4.058630E+02 3.229000E+03 3.734146E-01 4.060530E+02 3.231000E+03 3.781786E-01 4.062420E+02 3.324000E+03 4.337609E-01 4.064320E+02 3.301000E+03 4.247124E-01 4.066220E+02 3.204000E+03 3.740385E-01 4.068110E+02 3.291000E+03 4.266700E-01 4.070010E+02 3.325000E+03 4.496770E-01 4.071910E+02 3.342000E+03 4.631846E-01 4.073800E+02 3.403000E+03 5.017501E-01 4.075700E+02 3.427000E+03 5.194321E-01 4.077590E+02 3.382000E+03 4.977904E-01 4.079490E+02 3.440000E+03 5.350304E-01 4.081390E+02 3.304000E+03 4.610253E-01 4.083280E+02 3.397000E+03 5.185251E-01 4.085180E+02 3.395000E+03 5.214404E-01 4.087080E+02 3.422000E+03 5.411636E-01 4.088970E+02 3.391000E+03 5.272828E-01 4.090870E+02 3.339000E+03 5.010842E-01 4.092770E+02 3.285000E+03 4.735617E-01 4.094660E+02 3.379000E+03 5.326087E-01 4.096560E+02 3.302000E+03 4.914574E-01 4.098450E+02 3.203000E+03 4.370915E-01 4.100350E+02 3.150000E+03 4.096103E-01 4.102250E+02 3.284000E+03 4.928358E-01 4.104140E+02 3.252000E+03 4.778269E-01 4.106040E+02 3.180000E+03 4.388517E-01 4.107940E+02 3.255000E+03 4.875511E-01 4.109830E+02 3.221000E+03 4.711541E-01 4.111730E+02 3.104000E+03 4.047494E-01 4.113630E+02 3.275000E+03 5.116544E-01 4.115520E+02 3.170000E+03 4.522066E-01 4.117420E+02 3.133000E+03 4.336566E-01 4.119310E+02 3.137000E+03 4.399309E-01 4.121210E+02 3.041000E+03 3.852414E-01 4.123110E+02 3.042000E+03 3.895745E-01 4.125000E+02 3.005000E+03 3.706002E-01 4.126900E+02 2.974000E+03 3.551908E-01 4.128800E+02 2.883000E+03 3.026726E-01 4.130690E+02 2.887000E+03 3.086272E-01 4.132590E+02 2.885000E+03 3.108925E-01 4.134490E+02 2.877000E+03 3.094335E-01 4.136380E+02 2.947000E+03 3.566011E-01 4.138280E+02 2.910000E+03 3.370797E-01 4.140170E+02 2.896000E+03 3.318749E-01 4.142070E+02 2.940000E+03 3.631411E-01 4.143970E+02 2.883000E+03 3.308409E-01 4.145860E+02 2.922000E+03 3.590823E-01 4.147760E+02 3.013000E+03 4.204790E-01 4.149660E+02 2.987000E+03 4.077529E-01 4.151550E+02 3.061000E+03 4.587731E-01 4.153450E+02 2.950000E+03 3.916724E-01 4.155350E+02 2.973000E+03 4.101840E-01 4.157240E+02 2.932000E+03 3.875790E-01 4.159140E+02 3.101000E+03 5.004002E-01 4.161030E+02 3.010000E+03 4.455482E-01 4.162930E+02 3.079000E+03 4.942488E-01 4.164830E+02 3.096000E+03 5.093667E-01 4.166720E+02 3.076000E+03 5.003772E-01 4.168620E+02 3.146000E+03 5.502550E-01 4.170520E+02 3.033000E+03 4.802740E-01 4.172410E+02 3.209000E+03 6.001414E-01 4.174310E+02 3.091000E+03 5.265971E-01 4.176210E+02 3.229000E+03 6.220847E-01 4.178100E+02 3.093000E+03 5.361896E-01 4.180000E+02 3.157000E+03 5.829594E-01 4.181890E+02 3.265000E+03 6.593554E-01 4.183790E+02 3.229000E+03 6.397761E-01 4.185690E+02 3.154000E+03 5.938848E-01 4.187580E+02 3.264000E+03 6.722526E-01 4.189480E+02 3.170000E+03 6.133389E-01 4.191380E+02 3.244000E+03 6.678244E-01 4.193270E+02 3.218000E+03 6.547130E-01 4.195170E+02 3.169000E+03 6.258682E-01 4.197070E+02 3.190000E+03 6.446156E-01 4.198960E+02 3.195000E+03 6.525007E-01 4.200860E+02 3.184000E+03 6.494474E-01 4.202750E+02 3.292000E+03 7.282855E-01 4.204650E+02 3.226000E+03 6.874464E-01 4.206550E+02 3.209000E+03 6.802691E-01 4.208440E+02 3.253000E+03 7.153771E-01 4.210340E+02 3.150000E+03 6.483511E-01 4.212240E+02 3.153000E+03 6.549411E-01 4.214130E+02 3.196000E+03 6.895552E-01 4.216030E+02 3.185000E+03 6.864424E-01 4.217930E+02 3.091000E+03 6.248634E-01 4.219820E+02 3.076000E+03 6.186925E-01 4.221720E+02 3.155000E+03 6.790248E-01 4.223610E+02 3.046000E+03 6.062382E-01 4.225510E+02 3.159000E+03 6.910565E-01 4.227410E+02 3.196000E+03 7.220675E-01 4.229300E+02 3.065000E+03 6.329963E-01 4.231200E+02 3.159000E+03 7.049143E-01 4.233100E+02 3.106000E+03 6.714326E-01 4.234990E+02 3.075000E+03 6.536270E-01 4.236890E+02 3.031000E+03 6.262914E-01 4.238790E+02 3.048000E+03 6.430598E-01 4.240680E+02 3.088000E+03 6.766449E-01 4.242580E+02 3.021000E+03 6.323392E-01 4.244470E+02 3.001000E+03 6.221661E-01 4.246370E+02 3.173000E+03 7.527996E-01 4.248270E+02 3.091000E+03 6.972491E-01 4.250160E+02 3.006000E+03 6.391632E-01 4.252060E+02 2.931000E+03 5.881578E-01 4.253960E+02 2.975000E+03 6.251469E-01 4.255850E+02 2.950000E+03 6.109935E-01 4.257750E+02 2.943000E+03 6.101632E-01 4.259650E+02 2.909000E+03 5.891260E-01 4.261540E+02 2.909000E+03 5.934648E-01 4.263440E+02 2.984000E+03 6.542397E-01 4.265330E+02 3.042000E+03 7.025135E-01 4.267230E+02 2.934000E+03 6.254866E-01 4.269130E+02 2.978000E+03 6.632940E-01 4.271020E+02 2.932000E+03 6.328586E-01 4.272920E+02 2.882000E+03 5.992064E-01 4.274820E+02 2.837000E+03 5.691860E-01 4.276710E+02 2.831000E+03 5.688764E-01 4.278610E+02 2.924000E+03 6.446611E-01 4.280510E+02 2.795000E+03 5.497124E-01 4.282400E+02 2.830000E+03 5.810092E-01 4.284300E+02 2.866000E+03 6.132537E-01 4.286190E+02 2.907000E+03 6.495434E-01 4.288090E+02 2.848000E+03 6.080691E-01 4.289990E+02 2.805000E+03 5.788657E-01 4.291880E+02 2.749000E+03 5.393035E-01 4.293780E+02 2.775000E+03 5.639623E-01 4.295680E+02 2.821000E+03 6.045103E-01 4.297570E+02 2.850000E+03 6.318082E-01 4.299470E+02 2.812000E+03 6.061715E-01 4.301370E+02 2.754000E+03 5.645000E-01 4.303260E+02 2.735000E+03 5.536570E-01 4.305160E+02 2.730000E+03 5.539391E-01 4.307050E+02 2.795000E+03 6.102585E-01 4.308950E+02 2.754000E+03 5.817423E-01 4.310850E+02 2.650000E+03 5.023326E-01 4.312740E+02 2.646000E+03 5.032287E-01 4.314640E+02 2.770000E+03 6.077671E-01 4.316540E+02 2.702000E+03 5.569849E-01 4.318430E+02 2.692000E+03 5.531071E-01 4.320330E+02 2.708000E+03 5.704320E-01 4.322230E+02 2.684000E+03 5.551073E-01 4.324120E+02 2.614000E+03 5.019342E-01 4.326020E+02 2.740000E+03 6.097714E-01 4.327910E+02 2.663000E+03 5.506449E-01 4.329810E+02 2.626000E+03 5.242898E-01 4.331710E+02 2.650000E+03 5.483953E-01 4.333600E+02 2.647000E+03 5.501610E-01 4.335500E+02 2.590000E+03 5.068936E-01 4.337400E+02 2.638000E+03 5.511906E-01 4.339290E+02 2.692000E+03 6.007361E-01 4.341190E+02 2.682000E+03 5.967311E-01 4.343090E+02 2.586000E+03 5.201847E-01 4.344980E+02 2.624000E+03 5.565070E-01 4.346880E+02 2.457000E+03 4.192305E-01 4.348770E+02 2.521000E+03 4.775382E-01 4.350670E+02 2.581000E+03 5.327501E-01 4.352570E+02 2.614000E+03 5.651826E-01 4.354460E+02 2.600000E+03 5.575035E-01 4.356360E+02 2.481000E+03 4.595659E-01 4.358260E+02 2.552000E+03 5.247585E-01 4.360150E+02 2.594000E+03 5.652391E-01 4.362050E+02 2.558000E+03 5.383759E-01 4.363950E+02 2.574000E+03 5.565252E-01 4.365840E+02 2.549000E+03 5.390591E-01 4.367740E+02 2.527000E+03 5.240986E-01 4.369630E+02 2.564000E+03 5.606908E-01 4.371530E+02 2.480000E+03 4.912571E-01 4.373430E+02 2.517000E+03 5.279537E-01 4.375320E+02 2.549000E+03 5.604246E-01 4.377220E+02 2.539000E+03 5.558959E-01 4.379120E+02 2.446000E+03 4.776656E-01 4.381010E+02 2.491000E+03 5.217850E-01 4.382910E+02 2.525000E+03 5.563274E-01 4.384810E+02 2.467000E+03 5.087622E-01 4.386700E+02 2.423000E+03 4.734882E-01 4.388600E+02 2.465000E+03 5.153311E-01 4.390490E+02 2.556000E+03 6.015677E-01 4.392390E+02 2.460000E+03 5.192083E-01 4.394290E+02 2.575000E+03 6.276678E-01 4.396180E+02 2.465000E+03 5.321977E-01 4.398080E+02 2.470000E+03 5.409989E-01 4.399980E+02 2.420000E+03 4.995748E-01 4.401870E+02 2.414000E+03 4.982310E-01 4.403770E+02 2.453000E+03 5.382181E-01 4.405670E+02 2.435000E+03 5.259151E-01 4.407560E+02 2.447000E+03 5.412332E-01 4.409460E+02 2.443000E+03 5.417936E-01 4.411350E+02 2.386000E+03 4.931413E-01 4.413250E+02 2.396000E+03 5.066012E-01 4.415150E+02 2.382000E+03 4.977276E-01 4.417040E+02 2.384000E+03 5.037703E-01 4.418940E+02 2.341000E+03 4.675942E-01 4.420840E+02 2.444000E+03 5.685762E-01 4.422730E+02 2.368000E+03 5.012349E-01 4.424630E+02 2.336000E+03 4.751524E-01 4.426530E+02 2.343000E+03 4.859103E-01 4.428420E+02 2.426000E+03 5.689591E-01 4.430320E+02 2.323000E+03 4.751152E-01 4.432210E+02 2.458000E+03 6.082585E-01 4.434110E+02 2.425000E+03 5.810996E-01 4.436010E+02 2.485000E+03 6.431575E-01 4.437900E+02 2.338000E+03 5.060895E-01 4.439800E+02 2.332000E+03 5.044782E-01 4.441700E+02 2.317000E+03 4.941375E-01 4.443590E+02 2.304000E+03 4.856753E-01 4.445490E+02 2.304000E+03 4.898279E-01 4.447390E+02 2.333000E+03 5.223089E-01 4.449280E+02 2.262000E+03 4.570406E-01 4.451180E+02 2.365000E+03 5.621882E-01 4.453070E+02 2.334000E+03 5.360305E-01 4.454970E+02 2.322000E+03 5.284787E-01 4.456870E+02 2.369000E+03 5.792437E-01 4.458760E+02 2.281000E+03 4.963601E-01 4.460660E+02 2.279000E+03 4.985440E-01 4.462560E+02 2.330000E+03 5.535749E-01 4.464450E+02 2.224000E+03 4.519515E-01 4.466350E+02 2.292000E+03 5.241783E-01 4.468250E+02 2.308000E+03 5.445195E-01 4.470140E+02 2.286000E+03 5.266501E-01 4.472040E+02 2.278000E+03 5.228305E-01 4.473930E+02 2.223000E+03 4.713821E-01 4.475830E+02 2.246000E+03 4.988655E-01 4.477730E+02 2.200000E+03 4.562436E-01 4.479620E+02 2.198000E+03 4.582709E-01 4.481520E+02 2.181000E+03 4.449573E-01 4.483420E+02 2.267000E+03 5.372575E-01 4.485310E+02 2.209000E+03 4.818888E-01 4.487210E+02 2.192000E+03 4.685223E-01 4.489110E+02 2.190000E+03 4.705718E-01 4.491000E+02 2.190000E+03 4.746853E-01 4.492900E+02 2.220000E+03 5.100084E-01 4.494790E+02 2.138000E+03 4.287747E-01 4.496690E+02 2.203000E+03 5.007278E-01 4.498590E+02 2.173000E+03 4.735123E-01 4.500480E+02 2.210000E+03 5.165040E-01 4.502380E+02 2.247000E+03 5.597190E-01 4.504280E+02 2.097000E+03 4.057020E-01 4.506170E+02 2.257000E+03 5.790551E-01 4.508070E+02 2.108000E+03 4.253405E-01 4.509970E+02 2.164000E+03 4.889409E-01 4.511860E+02 2.133000E+03 4.600405E-01 4.513760E+02 2.165000E+03 4.983821E-01 4.515650E+02 2.089000E+03 4.210889E-01 4.517550E+02 2.092000E+03 4.283404E-01 4.519450E+02 2.154000E+03 4.992065E-01 4.521340E+02 2.135000E+03 4.828744E-01 4.523240E+02 2.130000E+03 4.816307E-01 4.525140E+02 2.186000E+03 5.466480E-01 4.527030E+02 2.147000E+03 5.085154E-01 4.528930E+02 2.094000E+03 4.548844E-01 4.530830E+02 2.135000E+03 5.038718E-01 4.532720E+02 2.082000E+03 4.499171E-01 4.534620E+02 2.063000E+03 4.331045E-01 4.536510E+02 2.083000E+03 4.592297E-01 4.538410E+02 2.070000E+03 4.489822E-01 4.540310E+02 2.106000E+03 4.929957E-01 4.542200E+02 2.083000E+03 4.716209E-01 4.544100E+02 2.020000E+03 4.055437E-01 4.546000E+02 2.094000E+03 4.922474E-01 4.547890E+02 2.021000E+03 4.146647E-01 4.549790E+02 2.172000E+03 5.883178E-01 4.551690E+02 2.041000E+03 4.452161E-01 4.553580E+02 2.117000E+03 5.351275E-01 4.555480E+02 2.075000E+03 4.919062E-01 4.557370E+02 2.136000E+03 5.653673E-01 4.559270E+02 2.134000E+03 5.675013E-01 4.561170E+02 2.015000E+03 4.361330E-01 4.563060E+02 2.049000E+03 4.790898E-01 4.564960E+02 1.984000E+03 4.087377E-01 4.566860E+02 2.101000E+03 5.472710E-01 4.568750E+02 2.031000E+03 4.709550E-01 4.570650E+02 2.062000E+03 5.109366E-01 4.572550E+02 2.099000E+03 5.580705E-01 4.574440E+02 2.095000E+03 5.578133E-01 4.576340E+02 2.059000E+03 5.202901E-01 4.578230E+02 2.044000E+03 5.070827E-01 4.580130E+02 2.025000E+03 4.891049E-01 4.582030E+02 2.041000E+03 5.120925E-01 4.583920E+02 1.998000E+03 4.657765E-01 4.585820E+02 1.994000E+03 4.652241E-01 4.587720E+02 1.991000E+03 4.658486E-01 4.589610E+02 2.069000E+03 5.624853E-01 4.591510E+02 1.977000E+03 4.575407E-01 4.593410E+02 2.028000E+03 5.224556E-01 4.595300E+02 2.014000E+03 5.100406E-01 4.597200E+02 1.905000E+03 3.837842E-01 4.599090E+02 2.007000E+03 5.102284E-01 4.600990E+02 1.965000E+03 4.639410E-01 4.602890E+02 1.932000E+03 4.282749E-01 4.604780E+02 2.030000E+03 5.509185E-01 4.606680E+02 1.983000E+03 4.983048E-01 4.608580E+02 1.958000E+03 4.721711E-01 4.610470E+02 2.014000E+03 5.446264E-01 4.612370E+02 1.991000E+03 5.208834E-01 4.614270E+02 1.956000E+03 4.823119E-01 4.616160E+02 1.913000E+03 4.337081E-01 4.618060E+02 1.960000E+03 4.957002E-01