********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: C6H4S3N2 * Name: 13524-benzotrithiadiazepine * Edge: N 1s * Alpha Formula: C6H4N2S3 * Data Source: Hitchcock * Filename: bv-0nnkk.os * Ref. Code: HD&91 * Write Date: 93/06/10 [corrected 2025-08-18 aph] * Reference: J. El. Spec. 57 (91) 165. * Source and Purity: Oakley, U. Guelph * Acquisition Mode: EELS, 2 deg, 2500 eV CRE mode, 0.7 eV fwhm *-------------------------------------------------------------- * No. of Spectra: 2 name1- 0bvn-n name2- 0bvn.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 3.871730E+02 1.140747E+04 5.031700E-02 3.873120E+02 1.148539E+04 8.019128E-02 3.874520E+02 1.131151E+04 2.920359E-02 3.875920E+02 1.124695E+04 1.332767E-02 3.877320E+02 1.126905E+04 2.528420E-02 3.878720E+02 1.125326E+04 2.506536E-02 3.880120E+02 1.116779E+04 2.456472E-03 3.881510E+02 1.124809E+04 3.305823E-02 3.882910E+02 1.110105E+04 -9.341441E-03 3.884310E+02 1.093628E+04 -5.744001E-02 3.885710E+02 1.104615E+04 -1.732438E-02 3.887110E+02 1.107780E+04 -2.339025E-03 3.888510E+02 1.109103E+04 6.725333E-03 3.889900E+02 1.114580E+04 2.909241E-02 3.891300E+02 1.101316E+04 -8.715964E-03 3.892700E+02 1.100851E+04 -5.413341E-03 3.894100E+02 1.107210E+04 1.980218E-02 3.895500E+02 1.100727E+04 3.762619E-03 3.896900E+02 1.093582E+04 -1.441151E-02 3.898290E+02 1.109463E+04 4.134353E-02 3.899690E+02 1.101729E+04 2.126532E-02 3.901090E+02 1.094729E+04 3.543857E-03 3.902490E+02 1.081952E+04 -3.274544E-02 3.903890E+02 1.087412E+04 -1.045398E-02 3.905290E+02 1.087751E+04 -4.621625E-03 3.906680E+02 1.091029E+04 1.061574E-02 3.908080E+02 1.095413E+04 2.943511E-02 3.909480E+02 1.072272E+04 -4.017607E-02 3.910880E+02 1.069547E+04 -4.420331E-02 3.912280E+02 1.073296E+04 -2.744268E-02 3.913680E+02 1.085525E+04 1.655380E-02 3.915070E+02 1.073478E+04 -1.747471E-02 3.916470E+02 1.089662E+04 3.921558E-02 3.917870E+02 1.094958E+04 6.092618E-02 3.919270E+02 1.075633E+04 3.537197E-03 3.920670E+02 1.073264E+04 6.136933E-04 3.922070E+02 1.080490E+04 2.850388E-02 3.923460E+02 1.076960E+04 2.180784E-02 3.924860E+02 1.074881E+04 1.979754E-02 3.926260E+02 1.058852E+04 -2.703052E-02 3.927660E+02 1.069349E+04 1.134916E-02 3.929060E+02 1.068714E+04 1.098037E-02 3.929060E+02 1.067786E+04 1.098037E-02 3.930460E+02 1.066860E+04 1.265298E-02 3.931850E+02 1.035773E+04 -8.260044E-02 3.933250E+02 1.051499E+04 -2.744637E-02 3.934650E+02 1.051805E+04 -2.183173E-02 3.936050E+02 1.047556E+04 -3.085317E-02 3.937450E+02 1.038424E+04 -5.556890E-02 3.938850E+02 1.052782E+04 -4.828984E-03 3.940240E+02 1.057789E+04 1.583091E-02 3.941640E+02 1.039453E+04 -3.846744E-02 3.943040E+02 1.033244E+04 -5.381151E-02 3.944440E+02 1.042830E+04 -1.842281E-02 3.945840E+02 1.058879E+04 3.772133E-02 3.947240E+02 1.044440E+04 -4.079169E-03 3.948630E+02 1.036422E+04 -2.528851E-02 3.950030E+02 1.031635E+04 -3.609263E-02 3.951430E+02 1.017910E+04 -7.561541E-02 3.952830E+02 1.025098E+04 -4.796071E-02 3.954230E+02 1.048519E+04 3.183155E-02 3.955630E+02 1.036001E+04 -3.826580E-03 3.957020E+02 1.030917E+04 -1.564324E-02 3.958420E+02 1.019451E+04 -4.793290E-02 3.959820E+02 1.033942E+04 3.154404E-03 3.961220E+02 1.026318E+04 -1.680534E-02 3.962620E+02 1.030484E+04 1.102820E-03 3.964010E+02 1.031326E+04 8.298954E-03 3.965410E+02 1.030043E+04 8.693207E-03 3.966810E+02 1.028388E+04 7.886170E-03 3.968210E+02 1.013363E+04 -3.587039E-02 3.969610E+02 1.020328E+04 -8.995880E-03 3.971010E+02 1.026938E+04 1.673350E-02 3.972400E+02 1.029924E+04 3.078485E-02 3.973800E+02 1.040345E+04 6.874783E-02 3.975200E+02 1.053091E+04 1.141708E-01 3.976600E+02 1.079951E+04 2.049318E-01 3.978000E+02 1.111525E+04 3.108302E-01 3.979400E+02 1.172533E+04 5.112730E-01 3.980790E+02 1.252862E+04 7.737495E-01 3.982190E+02 1.351047E+04 1.093609E+00 3.983590E+02 1.440188E+04 1.384412E+00 3.984990E+02 1.514768E+04 1.628434E+00 3.986390E+02 1.569686E+04 1.809292E+00 3.987790E+02 1.504504E+04 1.604340E+00 3.989180E+02 1.407864E+04 1.298298E+00 3.990580E+02 1.286891E+04 9.141159E-01 3.991980E+02 1.205856E+04 6.582239E-01 3.993380E+02 1.126564E+04 4.079233E-01 3.994780E+02 1.077684E+04 2.553161E-01 3.996180E+02 1.048112E+04 1.647263E-01 3.997570E+02 1.049148E+04 1.724227E-01 3.998970E+02 1.061874E+04 2.177000E-01 4.000370E+02 1.048271E+04 1.783932E-01 4.001770E+02 1.051440E+04 1.929606E-01 4.003170E+02 1.071347E+04 2.612907E-01 4.004570E+02 1.112733E+04 3.986113E-01 4.005960E+02 1.152660E+04 5.312144E-01 4.007360E+02 1.191844E+04 6.614507E-01 4.008760E+02 1.224086E+04 7.693859E-01 4.010160E+02 1.238909E+04 8.213619E-01 4.011560E+02 1.287885E+04 9.830419E-01 4.012960E+02 1.275664E+04 9.481300E-01 4.014350E+02 1.294677E+04 1.013519E+00 4.015750E+02 1.298476E+04 1.030060E+00 4.017150E+02 1.288094E+04 1.001042E+00 4.018550E+02 1.247220E+04 8.740696E-01 4.019950E+02 1.218679E+04 7.867081E-01 4.021350E+02 1.226636E+04 8.165892E-01 4.022740E+02 1.230940E+04 8.346978E-01 4.024140E+02 1.221676E+04 8.092481E-01 4.025540E+02 1.188667E+04 7.075151E-01 4.026940E+02 1.181691E+04 6.894046E-01 4.028340E+02 1.172891E+04 6.654328E-01 4.029740E+02 1.179317E+04 6.903636E-01 4.031130E+02 1.186563E+04 7.178971E-01 4.032530E+02 1.157152E+04 6.276973E-01 4.033930E+02 1.160550E+04 6.428924E-01 4.035330E+02 1.171888E+04 6.835836E-01 4.036730E+02 1.160010E+04 6.496946E-01 4.038130E+02 1.179485E+04 7.165161E-01 4.039520E+02 1.175761E+04 7.087811E-01 4.040920E+02 1.172350E+04 7.020770E-01 4.042320E+02 1.168720E+04 6.946629E-01 4.043720E+02 1.174050E+04 7.160276E-01 4.045120E+02 1.163312E+04 6.857731E-01 4.046520E+02 1.177352E+04 7.351078E-01 4.047910E+02 1.179403E+04 7.458964E-01 4.049310E+02 1.173026E+04 7.296373E-01 4.050710E+02 1.177071E+04 7.468513E-01 4.052110E+02 1.180008E+04 7.605017E-01 4.053510E+02 1.179194E+04 7.620971E-01 4.054910E+02 1.174546E+04 7.513735E-01 4.056300E+02 1.186269E+04 7.932026E-01 4.057700E+02 1.166984E+04 7.354501E-01 4.059100E+02 1.150172E+04 6.856362E-01 4.060500E+02 1.148844E+04 6.855592E-01 4.061900E+02 1.158278E+04 7.200473E-01 4.063300E+02 1.151197E+04 7.014812E-01 4.064690E+02 1.138054E+04 6.634068E-01 4.066090E+02 1.141078E+04 6.772889E-01 4.067490E+02 1.140526E+04 6.796818E-01 4.068890E+02 1.131698E+04 6.554853E-01 4.070290E+02 1.131020E+04 6.574639E-01 4.071690E+02 1.137698E+04 6.830674E-01 4.073080E+02 1.136335E+04 6.828088E-01 4.074480E+02 1.124621E+04 6.493221E-01 4.075880E+02 1.095784E+04 5.608266E-01 4.077280E+02 1.112694E+04 6.192801E-01 4.078680E+02 1.110833E+04 6.174328E-01 4.080080E+02 1.108267E+04 6.133153E-01 4.081470E+02 1.118808E+04 6.512694E-01 4.082870E+02 1.116829E+04 6.490256E-01 4.084270E+02 1.102263E+04 6.063480E-01 4.085670E+02 1.089151E+04 5.683355E-01 4.087070E+02 1.076404E+04 5.314929E-01 4.088460E+02 1.090008E+04 5.792604E-01 4.089860E+02 1.104442E+04 6.297247E-01 4.091260E+02 1.096617E+04 6.086786E-01 4.092660E+02 1.096399E+04 6.120625E-01 4.094060E+02 1.090087E+04 5.958669E-01 4.095460E+02 1.108636E+04 6.595289E-01 4.096850E+02 1.096088E+04 6.232670E-01 4.098250E+02 1.081463E+04 5.803542E-01 4.099650E+02 1.081297E+04 5.838827E-01 4.101050E+02 1.085436E+04 6.012408E-01 4.102450E+02 1.076855E+04 5.777288E-01 4.103850E+02 1.064208E+04 5.411536E-01 4.105240E+02 1.061051E+04 5.350323E-01 4.106640E+02 1.075532E+04 5.855904E-01 4.108040E+02 1.069925E+04 5.716184E-01 4.109440E+02 1.063297E+04 5.543612E-01 4.110840E+02 1.061277E+04 5.519031E-01 4.112240E+02 1.047940E+04 5.130832E-01 4.113630E+02 1.074203E+04 6.014432E-01 4.115030E+02 1.069969E+04 5.918567E-01 4.116430E+02 1.046075E+04 5.191137E-01 4.117830E+02 1.054175E+04 5.491422E-01 4.119230E+02 1.063806E+04 5.840859E-01 4.120630E+02 1.058587E+04 5.713193E-01 4.122020E+02 1.059251E+04 5.774209E-01 4.123420E+02 1.037089E+04 5.102199E-01 4.124820E+02 1.043530E+04 5.348977E-01 4.126220E+02 1.041907E+04 5.336688E-01 4.127620E+02 1.046918E+04 5.537428E-01 4.129020E+02 1.049473E+04 5.659266E-01 4.130410E+02 1.046978E+04 5.618520E-01 4.131810E+02 1.050641E+04 5.775874E-01 4.133210E+02 1.042853E+04 5.565301E-01 4.134610E+02 1.059928E+04 6.153395E-01 4.136010E+02 1.045864E+04 5.741158E-01 4.137410E+02 1.032466E+04 5.350267E-01 4.138800E+02 1.040483E+04 5.646955E-01 4.140200E+02 1.052953E+04 6.086949E-01 4.141600E+02 1.056703E+04 6.246790E-01 4.143000E+02 1.042674E+04 5.835460E-01 4.144400E+02 1.045391E+04 5.962052E-01 4.145800E+02 1.034396E+04 5.648112E-01 4.147190E+02 1.034856E+04 5.701804E-01 4.148590E+02 1.035451E+04 5.760101E-01 4.149990E+02 1.032902E+04 5.717352E-01 4.151390E+02 1.028589E+04 5.617879E-01 4.152790E+02 1.025775E+04 5.566525E-01 4.154190E+02 1.031739E+04 5.797116E-01 4.155580E+02 1.035564E+04 5.958704E-01 4.156980E+02 1.021555E+04 5.547584E-01 4.158380E+02 1.023855E+04 5.660363E-01 4.159780E+02 1.012824E+04 5.344865E-01 4.161180E+02 1.022412E+04 5.691650E-01 4.162580E+02 1.014443E+04 5.474439E-01 4.163970E+02 1.022008E+04 5.755881E-01 4.165370E+02 1.027009E+04 5.955240E-01 4.166770E+02 1.017233E+04 5.679839E-01 4.168170E+02 9.938972E+03 4.968810E-01 4.169570E+02 1.005558E+04 5.381981E-01 4.170970E+02 1.002384E+04 5.318514E-01 4.172360E+02 9.905192E+03 4.975602E-01 4.173760E+02 9.931320E+03 5.097986E-01 4.175160E+02 9.926671E+03 5.121454E-01 4.176560E+02 1.005829E+04 5.582620E-01 4.177960E+02 1.006173E+04 5.632012E-01 4.179360E+02 1.002498E+04 5.552235E-01 4.180750E+02 9.962549E+03 5.389675E-01 4.182150E+02 9.895629E+03 5.212910E-01 4.183550E+02 9.876628E+03 5.190048E-01 4.184950E+02 9.923835E+03 5.379821E-01 4.186350E+02 1.002187E+04 5.732834E-01 4.187750E+02 1.006193E+04 5.899590E-01 4.189140E+02 9.935286E+03 5.530501E-01 4.190540E+02 9.997066E+03 5.766936E-01 4.191940E+02 1.001352E+04 5.857727E-01 4.193340E+02 1.001970E+04 5.915484E-01 4.194740E+02 9.953261E+03 5.739917E-01 4.196140E+02 9.914101E+03 5.651946E-01 4.197530E+02 9.987473E+03 5.925151E-01 4.198930E+02 9.923052E+03 5.755959E-01 4.200330E+02 9.838367E+03 5.521625E-01 4.201730E+02 9.873310E+03 5.671546E-01 4.203130E+02 9.887579E+03 5.755011E-01 4.204530E+02 9.860800E+03 5.706582E-01 4.205920E+02 9.804768E+03 5.563877E-01 4.207320E+02 9.838132E+03 5.708567E-01 4.208720E+02 9.875051E+03 5.864646E-01 4.210120E+02 9.959553E+03 6.173533E-01 4.211520E+02 9.973873E+03 6.256939E-01 4.212920E+02 9.763927E+03 5.619881E-01 4.214310E+02 9.881282E+03 6.033930E-01 4.215710E+02 9.853244E+03 5.981156E-01 4.217110E+02 9.799261E+03 5.844991E-01 4.218510E+02 9.709819E+03 5.594892E-01 4.219910E+02 9.720049E+03 5.664923E-01 4.221300E+02 9.707108E+03 5.660231E-01 4.222700E+02 9.656854E+03 5.535896E-01 4.224100E+02 9.679605E+03 5.646052E-01 4.225500E+02 9.772047E+03 5.980028E-01 4.226900E+02 9.753478E+03 5.957371E-01 4.228300E+02 9.673066E+03 5.736013E-01 4.229690E+02 9.616883E+03 5.592185E-01 4.231090E+02 9.598632E+03 5.570443E-01 4.232490E+02 9.681771E+03 5.874356E-01 4.233890E+02 9.547315E+03 5.479243E-01 4.235290E+02 9.565627E+03 5.574833E-01 4.236690E+02 9.552145E+03 5.568259E-01 4.238080E+02 9.508826E+03 5.465541E-01 4.239480E+02 9.448521E+03 5.308477E-01 4.240880E+02 9.492969E+03 5.487885E-01 4.242280E+02 9.570742E+03 5.774300E-01 4.243680E+02 9.503576E+03 5.595093E-01 4.245080E+02 9.458899E+03 5.488088E-01 4.246470E+02 9.359755E+03 5.205818E-01 4.247870E+02 9.338414E+03 5.173699E-01 4.249270E+02 9.488876E+03 5.693447E-01 4.250670E+02 9.463622E+03 5.648687E-01 4.252070E+02 9.421276E+03 5.548995E-01 4.253470E+02 9.430622E+03 5.615309E-01 4.254860E+02 9.557861E+03 6.060051E-01 4.256260E+02 9.304164E+03 5.281314E-01 4.257660E+02 9.435831E+03 5.740460E-01 4.259060E+02 9.291039E+03 5.311496E-01 4.260460E+02 9.307246E+03 5.399672E-01 4.261860E+02 9.186258E+03 5.047101E-01 4.263250E+02 9.252063E+03 5.294281E-01 4.264650E+02 9.253560E+03 5.335096E-01 4.266050E+02 9.250703E+03 5.361900E-01 4.267450E+02 9.273002E+03 5.469469E-01 4.268850E+02 9.388673E+03 5.876953E-01 4.270250E+02 9.305017E+03 5.644085E-01 4.271640E+02 9.268217E+03 5.561452E-01 4.273040E+02 9.203189E+03 5.388358E-01 4.274440E+02 9.206413E+03 5.434480E-01 4.275840E+02 9.178449E+03 5.380383E-01 4.277240E+02 9.217926E+03 5.542885E-01 4.278640E+02 9.187389E+03 5.480452E-01 4.280030E+02 9.264818E+03 5.764549E-01 4.281430E+02 8.969416E+03 4.851207E-01 4.282830E+02 9.131161E+03 5.406338E-01 4.284230E+02 9.158226E+03 5.528804E-01 4.285630E+02 9.097230E+03 5.368347E-01 4.287030E+02 8.878782E+03 4.702069E-01 4.288420E+02 9.160504E+03 5.642225E-01 4.289836E+02 9.075062E+03 5.403526E-01 4.291220E+02 9.171587E+03 5.748556E-01 4.292620E+02 8.993351E+03 5.211308E-01 4.294020E+02 8.932766E+03 5.051970E-01 4.295420E+02 8.795356E+03 4.645805E-01 4.296810E+02 9.006246E+03 5.358218E-01 4.298210E+02 8.910633E+03 5.086253E-01 4.299610E+02 8.894671E+03 5.070117E-01 4.301010E+02 8.849658E+03 4.960633E-01 4.302410E+02 8.883920E+03 5.105764E-01 4.303810E+02 8.946896E+03 5.343108E-01 4.305200E+02 9.020704E+03 5.614957E-01 4.306600E+02 8.930826E+03 5.361214E-01 4.308000E+02 8.925843E+03 5.380141E-01 4.309400E+02 8.947501E+03 5.484623E-01 4.310800E+02 8.763335E+03 4.927885E-01 4.312200E+02 8.836709E+03 5.198430E-01 4.313590E+02 8.899088E+03 5.433373E-01 4.314990E+02 8.790250E+03 5.118514E-01 4.316390E+02 8.860050E+03 5.377477E-01 4.317790E+02 8.922004E+03 5.611195E-01 4.319190E+02 8.826133E+03 5.337898E-01 4.320590E+02 8.766017E+03 5.179417E-01 4.321980E+02 8.775188E+03 5.243240E-01 4.323380E+02 8.841644E+03 5.491294E-01 4.324780E+02 8.814270E+03 5.437893E-01 4.326180E+02 8.784652E+03 5.377262E-01 4.327580E+02 8.719187E+03 5.201431E-01 4.328980E+02 8.747354E+03 5.326356E-01 4.330370E+02 8.733182E+03 5.314987E-01 4.331770E+02 8.672549E+03 5.154590E-01 4.333170E+02 8.632419E+03 5.060016E-01 4.334570E+02 8.693242E+03 5.289714E-01 4.335970E+02 8.694953E+03 5.329481E-01 4.337370E+02 8.607457E+03 5.082660E-01 4.338760E+02 8.627629E+03 5.181427E-01 4.340160E+02 8.651360E+03 5.291836E-01 4.341560E+02 8.675960E+03 5.405008E-01 4.342960E+02 8.569729E+03 5.097864E-01 4.344360E+02 8.731540E+03 5.651746E-01 4.345760E+02 8.575654E+03 5.185029E-01 4.347150E+02 8.579199E+03 5.230192E-01