********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: p-NH2C6H4NO2 * Name: para nitroaniline * Edge: O 1s * Alpha Formula: C6H6N2O2 * Data Source: Hitchcock * Filename: nq-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- 0nqo name2- 0nqo.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 5.205853E+02 3.755761E+04 6.604980E-03 5.208368E+02 3.725858E+04 -2.251911E-02 5.210882E+02 3.739944E+04 -3.053117E-03 5.213282E+02 3.745884E+04 7.257408E-03 5.215797E+02 3.727965E+04 -8.711565E-03 5.218311E+02 3.735162E+04 3.182877E-03 5.220825E+02 3.727068E+04 -1.916903E-03 5.223339E+02 3.727688E+04 2.676659E-03 5.225853E+02 3.731620E+04 1.097544E-02 5.228368E+02 3.701248E+04 -1.906725E-02 5.230882E+02 3.731068E+04 1.820084E-02 5.233282E+02 3.723142E+04 1.306260E-02 5.235797E+02 3.717996E+04 1.120333E-02 5.238311E+02 3.698143E+04 -7.211165E-03 5.240825E+02 3.698872E+04 -2.502308E-03 5.243339E+02 3.714500E+04 1.902080E-02 5.245853E+02 3.721096E+04 3.039602E-02 5.248368E+02 3.689244E+04 -1.700632E-03 5.250882E+02 3.663881E+04 -2.654728E-02 5.253282E+02 3.677836E+04 -7.034845E-03 5.255797E+02 3.666797E+04 -1.569632E-02 5.258311E+02 3.667113E+04 -1.146880E-02 5.260825E+02 3.692716E+04 2.158367E-02 5.263339E+02 3.676683E+04 7.205115E-03 5.265853E+02 3.684213E+04 1.971020E-02 5.268368E+02 3.641081E+04 -2.574556E-02 5.270882E+02 3.637354E+04 -2.617108E-02 5.273282E+02 3.679077E+04 2.539737E-02 5.274317E+02 3.660121E+04 5.237154E-03 5.275803E+02 3.634361E+04 -2.207911E-02 5.277403E+02 3.656901E+04 6.308733E-03 5.278889E+02 3.665680E+04 1.871761E-02 5.280374E+02 3.650569E+04 3.608971E-03 5.281974E+02 3.636932E+04 -9.653005E-03 5.283460E+02 3.666865E+04 2.719728E-02 5.284946E+02 3.641034E+04 -3.422177E-04 5.286545E+02 3.655785E+04 1.919013E-02 5.288031E+02 3.664830E+04 3.197014E-02 5.289517E+02 3.655487E+04 2.346255E-02 5.291003E+02 3.636699E+04 3.981529E-03 5.292603E+02 3.656048E+04 2.891419E-02 5.294088E+02 3.677673E+04 5.635545E-02 5.295574E+02 3.735645E+04 1.261107E-01 5.297174E+02 3.734485E+04 1.273426E-01 5.298660E+02 3.802132E+04 2.085505E-01 5.300145E+02 3.886257E+04 3.091075E-01 5.301746E+02 4.079441E+04 5.373207E-01 5.303231E+02 4.336075E+04 8.398420E-01 5.304717E+02 4.662923E+04 1.224967E+00 5.306202E+02 4.924854E+04 1.534791E+00 5.307803E+02 5.161500E+04 1.815830E+00 5.309288E+02 5.331895E+04 2.019410E+00 5.310774E+02 5.300005E+04 1.986018E+00 5.312374E+02 5.142082E+04 1.804870E+00 5.313860E+02 4.923204E+04 1.551460E+00 5.315345E+02 4.659814E+04 1.245252E+00 5.316946E+02 4.370516E+04 9.082475E-01 5.318431E+02 4.185477E+04 6.932619E-01 5.319995E+02 4.018911E+04 4.998336E-01 5.321517E+02 3.876831E+04 3.348872E-01 5.323003E+02 3.789241E+04 2.339707E-01 5.324489E+02 3.746056E+04 1.853860E-01 5.325974E+02 3.698541E+04 1.315922E-01 5.327574E+02 3.683304E+04 1.161200E-01 5.329060E+02 3.676624E+04 1.105817E-01 5.330546E+02 3.657825E+04 9.064886E-02 5.332145E+02 3.651411E+04 8.557080E-02 5.333631E+02 3.653085E+04 8.991413E-02 5.335117E+02 3.638967E+04 7.547399E-02 5.336717E+02 3.662280E+04 1.057615E-01 5.338203E+02 3.655042E+04 9.950325E-02 5.339688E+02 3.650577E+04 9.654067E-02 5.341174E+02 3.672754E+04 1.253806E-01 5.342774E+02 3.624993E+04 7.087351E-02 5.344260E+02 3.637536E+04 8.821286E-02 5.345745E+02 3.605142E+04 5.178878E-02 5.347346E+02 3.597753E+04 4.543562E-02 5.348831E+02 3.648961E+04 1.091578E-01 5.350317E+02 3.648351E+04 1.107956E-01 5.351917E+02 3.639991E+04 1.033060E-01 5.353403E+02 3.681675E+04 1.557868E-01 5.354888E+02 3.695454E+04 1.747747E-01 5.356374E+02 3.708129E+04 1.924629E-01 5.357974E+02 3.725247E+04 2.157249E-01 5.359460E+02 3.772986E+04 2.757786E-01 5.360945E+02 3.779016E+04 2.855690E-01 5.362546E+02 3.823637E+04 3.422089E-01 5.364031E+02 3.867141E+04 3.973973E-01 5.365517E+02 3.912868E+04 4.553683E-01 5.367117E+02 3.963248E+04 5.192802E-01 5.368603E+02 3.969702E+04 5.298222E-01 5.370089E+02 4.001927E+04 5.716594E-01 5.371688E+02 4.049453E+04 6.323683E-01 5.373174E+02 4.069534E+04 6.595934E-01 5.374660E+02 4.117499E+04 7.207986E-01 5.376146E+02 4.110868E+04 7.156023E-01 5.377745E+02 4.107645E+04 7.147704E-01 5.379231E+02 4.165819E+04 7.886281E-01 5.380717E+02 4.189233E+04 8.201591E-01 5.382317E+02 4.206304E+04 8.442165E-01 5.383802E+02 4.227917E+04 8.736399E-01 5.385289E+02 4.206976E+04 8.510075E-01 5.386888E+02 4.198152E+04 8.434108E-01 5.388374E+02 4.240533E+04 8.983733E-01 5.389860E+02 4.208588E+04 8.621843E-01 5.391346E+02 4.210396E+04 8.674013E-01 5.392946E+02 4.192609E+04 8.487576E-01 5.394431E+02 4.193816E+04 8.532248E-01 5.395917E+02 4.211718E+04 8.782626E-01 5.397517E+02 4.257956E+04 9.385099E-01 5.399003E+02 4.252872E+04 9.352928E-01 5.400488E+02 4.237021E+04 9.187689E-01 5.402089E+02 4.216661E+04 8.968753E-01 5.403574E+02 4.246728E+04 9.370925E-01 5.405060E+02 4.246236E+04 9.395364E-01 5.406660E+02 4.236600E+04 9.308832E-01 5.408146E+02 4.226955E+04 9.219670E-01 5.409631E+02 4.237589E+04 9.382070E-01 5.411117E+02 4.239534E+04 9.436736E-01 5.412717E+02 4.237137E+04 9.439838E-01 5.414203E+02 4.246667E+04 9.589017E-01 5.415688E+02 4.245546E+04 9.605718E-01 5.417288E+02 4.234339E+04 9.499021E-01 5.418774E+02 4.229388E+04 9.467825E-01 5.420260E+02 4.218741E+04 9.365411E-01 5.421860E+02 4.204647E+04 9.222019E-01 5.423345E+02 4.225623E+04 9.514790E-01 5.425833E+02 4.192198E+04 9.147218E-01 5.428348E+02 4.152174E+04 8.696274E-01 5.430862E+02 4.129154E+04 8.457599E-01 5.433376E+02 4.139786E+04 8.641577E-01 5.435891E+02 4.061689E+04 7.708000E-01 5.438405E+02 4.074733E+04 7.921687E-01 5.440919E+02 4.076760E+04 7.996697E-01 5.443433E+02 4.058325E+04 7.812910E-01 5.445948E+02 4.045469E+04 7.699214E-01 5.448576E+02 4.017070E+04 7.390075E-01 5.451091E+02 4.011155E+04 7.363501E-01 5.453605E+02 4.000734E+04 7.279406E-01 5.456119E+02 4.007472E+04 7.413670E-01 5.458633E+02 3.974944E+04 7.047102E-01 5.461147E+02 3.953224E+04 6.817548E-01 5.463662E+02 3.946995E+04 6.785528E-01 5.466176E+02 3.933257E+04 6.657088E-01 5.468691E+02 3.897155E+04 6.241192E-01 5.471205E+02 3.875252E+04 6.006525E-01 5.473719E+02 3.873011E+04 6.024168E-01 5.476234E+02 3.832310E+04 5.546104E-01 5.478748E+02 3.877505E+04 6.175234E-01 5.481262E+02 3.837379E+04 5.703304E-01 5.483776E+02 3.804743E+04 5.326911E-01 5.486290E+02 3.811701E+04 5.462557E-01 5.488805E+02 3.805200E+04 5.423828E-01 5.491433E+02 3.840439E+04 5.929521E-01 5.493948E+02 3.801586E+04 5.470061E-01 5.496462E+02 3.781764E+04 5.257301E-01 5.498976E+02 3.793170E+04 5.451497E-01 5.501490E+02 3.789677E+04 5.451393E-01 5.504005E+02 3.766020E+04 5.187267E-01 5.506519E+02 3.755198E+04 5.090585E-01 5.509033E+02 3.770840E+04 5.340917E-01 5.511548E+02 3.763215E+04 5.286055E-01 5.514062E+02 3.740404E+04 5.031052E-01 5.516577E+02 3.743793E+04 5.120611E-01 5.519091E+02 3.747726E+04 5.217522E-01 5.521605E+02 3.703488E+04 4.677910E-01 5.524119E+02 3.704758E+04 4.739077E-01 5.526633E+02 3.716527E+04 4.939495E-01 5.529148E+02 3.731506E+04 5.183024E-01 5.531662E+02 3.723013E+04 5.115152E-01 5.534291E+02 3.721186E+04 5.137795E-01 5.536805E+02 3.703545E+04 4.947576E-01 5.539319E+02 3.710470E+04 5.084657E-01 5.541833E+02 3.701236E+04 5.006063E-01 5.544348E+02 3.702182E+04 5.063432E-01 5.546862E+02 3.668296E+04 4.654006E-01 5.549376E+02 3.672881E+04 4.759738E-01 5.551890E+02 3.649554E+04 4.490525E-01 5.554405E+02 3.681924E+04 4.970161E-01 5.556919E+02 3.667196E+04 4.816231E-01 5.559434E+02 3.647924E+04 4.600493E-01 5.561948E+02 3.652743E+04 4.709671E-01 5.564462E+02 3.645127E+04 4.650784E-01 5.566976E+02 3.638675E+04 4.607447E-01 5.569490E+02 3.657063E+04 4.901025E-01 5.572005E+02 3.646218E+04 4.798056E-01 5.574633E+02 3.670979E+04 5.181314E-01 5.577148E+02 3.630552E+04 4.675119E-01 5.579662E+02 3.609717E+04 4.434838E-01 5.582177E+02 3.613488E+04 4.530098E-01 5.584691E+02 3.597068E+04 4.349224E-01 5.587205E+02 3.606511E+04 4.522203E-01 5.589719E+02 3.611333E+04 4.632178E-01 5.592233E+02 3.601321E+04 4.538539E-01 5.594748E+02 3.602521E+04 4.598847E-01 5.597262E+02 3.576095E+04 4.278568E-01 5.599776E+02 3.583243E+04 4.420608E-01 5.602291E+02 3.584019E+04 4.474941E-01 5.604805E+02 3.572392E+04 4.357721E-01 5.607319E+02 3.600312E+04 4.788058E-01 5.609833E+02 3.553774E+04 4.186425E-01 5.612347E+02 3.585434E+04 4.669505E-01 5.614862E+02 3.568517E+04 4.478035E-01 5.617490E+02 3.574178E+04 4.602477E-01 5.620005E+02 3.566139E+04 4.534093E-01 5.622519E+02 3.590254E+04 4.914624E-01 5.625034E+02 3.551098E+04 4.411007E-01 5.627548E+02 3.503858E+04 3.792691E-01 5.630062E+02 3.546410E+04 4.432212E-01 5.632576E+02 3.517568E+04 4.070519E-01 5.635090E+02 3.553351E+04 4.616801E-01 5.637605E+02 3.548866E+04 4.597318E-01 5.640119E+02 3.528734E+04 4.356999E-01 5.642634E+02 3.534682E+04 4.484321E-01 5.645148E+02 3.560061E+04 4.886721E-01 5.647662E+02 3.543332E+04 4.693792E-01 5.650176E+02 3.524650E+04 4.472597E-01 5.652690E+02 3.529757E+04 4.588521E-01 5.655205E+02 3.492173E+04 4.097639E-01 5.657833E+02 3.515283E+04 4.471549E-01 5.660348E+02 3.499626E+04 4.291664E-01 5.662862E+02 3.494986E+04 4.268511E-01 5.665376E+02 3.502377E+04 4.417254E-01 5.667891E+02 3.498618E+04 4.406708E-01 5.670405E+02 3.464495E+04 3.960707E-01 5.672919E+02 3.488937E+04 4.354234E-01 5.675433E+02 3.476036E+04 4.211895E-01 5.677947E+02 3.472752E+04 4.207547E-01 5.680462E+02 3.486395E+04 4.447132E-01 5.682976E+02 3.491462E+04 4.563491E-01 5.685491E+02 3.482299E+04 4.474420E-01 5.688005E+02 3.470845E+04 4.351881E-01 5.690519E+02 3.458382E+04 4.214298E-01 5.693033E+02 3.450581E+04 4.143955E-01 5.695547E+02 3.445215E+04 4.108721E-01 5.698062E+02 3.458396E+04 4.343228E-01 5.700690E+02 3.474215E+04 4.618690E-01 5.703205E+02 3.474826E+04 4.670962E-01