********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: CH3SH * Name: Methyl mercaptan * Edge: C 1s * Alpha Formula: CH4S * Data Source: Hitchcock * Filename: mm-0cckk.os * Ref. Code: DTH90 * Write Date: 93/06/10 * Reference: Chem. Phys. 142 (90) 455. * Source and Purity: Matheson * Acquisition Mode: EELS, 2 deg., 2500 eV CRE, 0.7 eV fwhm *-------------------------------------------------------------- * No. of Spectra: 2 name1- 0mmc5 name2- 0mmc5.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 2.799730E+02 1.665000E+04 -7.367934E-03 2.801690E+02 1.667700E+04 -4.054251E-03 2.803660E+02 1.679600E+04 -4.885668E-03 2.805630E+02 1.657400E+04 -5.351962E-03 2.807600E+02 1.667700E+04 -7.220317E-03 2.809570E+02 1.657900E+04 -2.744735E-03 2.811540E+02 1.635500E+04 -5.785186E-03 2.813510E+02 1.646600E+04 -7.171046E-03 2.815470E+02 1.651600E+04 -1.810604E-03 2.817440E+02 1.657800E+04 -1.022604E-03 2.819410E+02 1.650700E+04 -2.592220E-03 2.821380E+02 1.645700E+04 8.448634E-04 2.823350E+02 1.611100E+04 -2.750374E-03 2.825320E+02 1.634700E+04 -8.153154E-03 2.827290E+02 1.621700E+04 -8.414627E-03 2.829260E+02 1.616000E+04 -8.066078E-03 2.831220E+02 1.621400E+04 -7.595672E-03 2.833190E+02 1.619300E+04 -5.494613E-03 2.835160E+02 1.600800E+04 3.264534E-03 2.837130E+02 1.580900E+04 4.479903E-03 2.839100E+02 1.584000E+04 -5.028624E-03 2.841070E+02 1.596900E+04 -5.774302E-03 2.843040E+02 1.607400E+04 -7.500398E-03 2.845010E+02 1.596500E+04 -5.619486E-03 2.846970E+02 1.578700E+04 -1.800192E-03 2.848940E+02 1.571900E+04 -6.998936E-03 2.850910E+02 1.585700E+04 -8.645413E-03 2.852880E+02 1.586000E+04 4.050577E-03 2.854850E+02 1.606000E+04 -2.865819E-03 2.856820E+02 1.576300E+04 -4.996183E-03 2.858790E+02 1.556600E+04 -6.151287E-03 2.860760E+02 1.572300E+04 -8.029137E-03 2.862720E+02 1.557000E+04 1.198354E-02 2.864690E+02 1.604800E+04 5.081148E-02 2.866660E+02 1.654000E+04 1.133434E-01 2.868630E+02 1.739100E+04 2.011902E-01 2.870600E+02 1.850400E+04 3.296021E-01 2.872570E+02 2.020400E+04 5.042732E-01 2.874540E+02 2.240200E+04 7.895347E-01 2.876500E+02 2.630600E+04 1.162757E+00 2.878470E+02 3.084000E+04 1.525640E+00 2.880440E+02 3.470500E+04 1.810768E+00 2.882410E+02 3.743200E+04 1.958997E+00 2.884380E+02 3.829000E+04 2.008983E+00 2.886350E+02 3.840700E+04 2.008357E+00 2.888320E+02 3.803100E+04 1.975629E+00 2.890290E+02 3.736800E+04 1.827762E+00 2.892250E+02 3.488100E+04 1.620157E+00 2.894220E+02 3.238700E+04 1.414586E+00 2.896190E+02 3.001400E+04 1.221004E+00 2.898160E+02 2.782300E+04 1.066256E+00 2.900130E+02 2.622700E+04 9.811159E-01 2.902100E+02 2.550500E+04 8.999498E-01 2.904070E+02 2.439200E+04 8.726809E-01 2.906030E+02 2.440000E+04 8.645619E-01 2.908000E+02 2.411300E+04 8.284425E-01 2.909970E+02 2.353500E+04 8.173243E-01 2.911940E+02 2.353500E+04 8.315357E-01 2.913910E+02 2.362300E+04 8.076204E-01 2.915880E+02 2.305500E+04 7.523024E-01 2.917850E+02 2.235700E+04 7.248943E-01 2.919820E+02 2.218000E+04 7.014329E-01 2.921780E+02 2.178600E+04 6.834072E-01 2.923750E+02 2.160000E+04 6.847502E-01 2.925720E+02 2.160400E+04 6.792636E-01 2.927690E+02 2.139900E+04 6.657541E-01 2.929660E+02 2.118900E+04 6.620287E-01 2.931630E+02 2.113200E+04 6.589279E-01 2.933600E+02 2.100200E+04 6.657189E-01 2.935570E+02 2.106000E+04 6.613936E-01 2.937530E+02 2.085100E+04 6.740136E-01 2.939500E+02 2.103900E+04 6.656597E-01 2.941470E+02 2.069900E+04 6.630296E-01 2.943440E+02 2.073600E+04 6.765538E-01 2.945410E+02 2.079800E+04 6.719416E-01 2.947380E+02 2.058700E+04 6.756290E-01 2.949350E+02 2.064400E+04 6.808082E-01 2.951310E+02 2.057500E+04 7.038328E-01 2.953280E+02 2.082500E+04 7.007201E-01 2.955250E+02 2.052900E+04 6.921014E-01 2.957220E+02 2.046400E+04 6.801674E-01 2.959190E+02 2.022800E+04 6.929935E-01 2.961160E+02 2.042300E+04 7.023051E-01 2.963130E+02 2.033300E+04 7.112595E-01 2.965100E+02 2.039300E+04 7.273318E-01 2.967060E+02 2.046400E+04 7.120039E-01 2.969030E+02 2.011200E+04 7.297198E-01 2.971000E+02 2.043200E+04 7.384795E-01 2.972970E+02 2.026100E+04 7.345271E-01 2.974940E+02 2.019500E+04 7.513235E-01 2.976910E+02 2.033800E+04 7.581702E-01 2.978880E+02 2.023800E+04 7.395085E-01 2.980840E+02 1.994900E+04 7.526686E-01 2.982810E+02 2.016800E+04 7.696784E-01 2.984780E+02 2.015100E+04 7.677264E-01 2.986750E+02 2.002800E+04 8.029146E-01 2.988720E+02 2.042000E+04 8.032264E-01 2.990690E+02 2.010000E+04 8.010251E-01 2.992660E+02 2.014000E+04 7.945054E-01 2.994630E+02 1.993200E+04 8.129408E-01 2.996590E+02 2.015900E+04 8.105333E-01 2.998560E+02 1.989700E+04 8.042215E-01 3.000530E+02 1.986100E+04 8.015594E-01 3.002500E+02 1.974400E+04 8.021368E-01 3.004470E+02 1.971000E+04 8.041046E-01 3.006440E+02 1.964700E+04 8.275636E-01 3.008410E+02 1.984600E+04 8.399852E-01 3.010380E+02 1.977300E+04 8.233024E-01 3.012340E+02 1.951900E+04 8.163708E-01 3.014310E+02 1.947700E+04 8.290377E-01 3.016280E+02 1.953900E+04 8.217261E-01 3.018250E+02 1.932100E+04 8.284195E-01 3.020220E+02 1.941200E+04 8.639582E-01 3.022190E+02 1.964800E+04 8.513086E-01 3.024160E+02 1.927800E+04 8.499592E-01 3.026120E+02 1.936400E+04 8.589861E-01 3.028090E+02 1.931200E+04 8.493057E-01 3.030060E+02 1.913500E+04 8.609810E-01 3.032030E+02 1.925600E+04 8.430674E-01 3.034000E+02 1.890100E+04 8.273355E-01 3.035970E+02 1.883300E+04 8.520995E-01 3.037940E+02 1.902900E+04 8.670763E-01 3.039910E+02 1.897700E+04 8.934197E-01 3.041870E+02 1.917500E+04 8.804618E-01 3.043840E+02 1.883300E+04 8.613878E-01 3.045810E+02 1.873200E+04 8.879498E-01 3.047780E+02 1.895600E+04 8.742937E-01 3.049750E+02 1.860000E+04 8.744766E-01 3.051720E+02 1.870000E+04 8.507588E-01 3.053690E+02 1.831700E+04 8.593471E-01 3.055650E+02 1.851600E+04 8.687100E-01 3.057620E+02 1.840300E+04 8.763131E-01 3.059590E+02 1.844500E+04 8.656146E-01 3.061560E+02 1.822500E+04 8.318824E-01 3.063530E+02 1.793400E+04 8.497740E-01 3.065500E+02 1.817100E+04 8.619631E-01 3.067470E+02 1.806400E+04 8.373001E-01 3.069440E+02 1.780300E+04 8.068982E-01 3.071400E+02 1.757700E+04 8.171278E-01 3.073370E+02 1.770900E+04 8.451552E-01 3.075340E+02 1.780400E+04 8.254386E-01 3.077310E+02 1.748400E+04 8.425661E-01 3.079280E+02 1.772700E+04 8.670578E-01 3.081250E+02 1.772500E+04 8.492826E-01 3.083220E+02 1.748100E+04 8.372089E-01 3.085190E+02 1.742200E+04 8.161263E-01 3.087150E+02 1.718500E+04 8.371165E-01 3.089120E+02 1.741500E+04 8.556405E-01 3.091090E+02 1.736200E+04 8.581926E-01 3.093060E+02 1.732800E+04 8.271104E-01 3.095030E+02 1.699800E+04 8.203398E-01 3.097000E+02 1.703900E+04 8.067664E-01 3.098970E+02 1.682100E+04 8.118450E-01 3.100940E+02 1.690200E+04 8.167595E-01 3.102900E+02 1.681800E+04 8.202628E-01 3.104870E+02 1.681300E+04 8.068866E-01 3.106840E+02 1.662600E+04 7.901177E-01 3.108810E+02 1.651400E+04 8.131528E-01 3.110780E+02 1.668300E+04 8.268912E-01 3.112750E+02 1.662200E+04 8.298066E-01 3.114720E+02 1.660000E+04 8.123583E-01 3.116680E+02 1.639600E+04 7.853667E-01 3.118650E+02 1.621800E+04 7.855406E-01 3.120620E+02 1.624300E+04 8.171772E-01 3.122590E+02 1.639900E+04 8.101504E-01 3.124560E+02 1.618300E+04 7.979693E-01 3.126530E+02 1.613300E+04 7.891321E-01 3.128500E+02 1.601900E+04 8.021758E-01 3.130470E+02 1.610600E+04 8.040008E-01 3.132430E+02 1.599800E+04 8.175159E-01 3.134400E+02 1.608500E+04 7.965241E-01 3.136370E+02 1.580700E+04 8.175795E-01 3.138340E+02 1.604200E+04 8.062968E-01 3.140310E+02 1.575800E+04 8.087597E-01 3.142280E+02 1.585900E+04 8.129933E-01 3.144250E+02 1.576200E+04 8.227423E-01 3.146210E+02 1.581300E+04 8.304480E-01 3.148180E+02 1.576800E+04 8.123237E-01 3.150150E+02 1.559200E+04 7.862672E-01 3.152120E+02 1.543600E+04 7.815915E-01 3.154090E+02 1.542000E+04 7.870792E-01 3.156060E+02 1.539800E+04 7.740265E-01 3.158030E+02 1.525200E+04 7.845095E-01 3.160000E+02 1.533600E+04 7.820958E-01 3.161960E+02 1.520600E+04 7.705642E-01 3.163930E+02 1.513200E+04 8.030131E-01 3.165900E+02 1.532400E+04 8.086256E-01 3.167870E+02 1.518800E+04 8.145066E-01 3.169840E+02 1.523400E+04 7.932231E-01 3.171810E+02 1.500200E+04 7.778859E-01 3.173780E+02 1.496300E+04 7.494377E-01 3.175750E+02 1.473500E+04 7.446018E-01 3.177710E+02 1.476500E+04 7.524851E-01 3.179680E+02 1.473600E+04 7.339686E-01 3.181650E+02 1.457100E+04 7.554173E-01 3.183620E+02 1.473500E+04 7.767136E-01 3.185590E+02 1.471600E+04 7.983846E-01 3.187560E+02 1.479800E+04 7.441620E-01 3.189530E+02 1.435400E+04 7.179762E-01 3.191490E+02 1.437500E+04 7.378999E-01 3.193460E+02 1.442600E+04 7.428827E-01 3.195430E+02 1.436700E+04 7.764543E-01 3.197400E+02 1.454200E+04 8.096833E-01 3.199370E+02 1.458300E+04 7.652571E-01 3.201340E+02 1.423400E+04 7.749371E-01 3.203310E+02 1.442200E+04 7.458662E-01 3.205280E+02 1.408800E+04 7.532672E-01 3.207240E+02 1.425500E+04 7.495778E-01 3.209210E+02 1.408200E+04 7.422513E-01 3.211180E+02 1.407700E+04 7.536781E-01 3.213150E+02 1.408700E+04 7.280930E-01 3.215120E+02 1.387800E+04 7.430605E-01 3.217090E+02 1.402000E+04 7.755260E-01 3.219060E+02 1.406700E+04 7.525727E-01 3.221020E+02 1.385500E+04 7.365116E-01 3.222990E+02 1.382500E+04 7.292720E-01 3.224960E+02 1.374500E+04 7.036257E-01 3.226930E+02 1.359300E+04 7.155858E-01 3.228900E+02 1.368700E+04 7.284297E-01 3.230870E+02 1.365000E+04 6.903597E-01 3.232840E+02 1.341100E+04 6.921456E-01 3.234810E+02 1.349800E+04 7.058917E-01 3.236770E+02 1.347000E+04 7.125100E-01 3.238740E+02 1.346700E+04 7.163326E-01 3.240710E+02 1.343500E+04 6.808676E-01 3.242680E+02 1.321500E+04 6.955151E-01 3.244650E+02 1.335900E+04 7.278852E-01 3.246620E+02 1.339400E+04 7.382963E-01 3.248590E+02 1.337500E+04 6.797352E-01 3.250560E+02 1.303600E+04 7.112259E-01 3.252520E+02 1.332900E+04 7.351924E-01 3.254490E+02 1.323600E+04 7.230999E-01 3.256460E+02 1.317500E+04 7.449994E-01 3.258430E+02 1.326500E+04 7.140644E-01 3.260400E+02 1.301200E+04 6.938083E-01 3.262370E+02 1.300100E+04 7.202732E-01 3.264340E+02 1.308500E+04 7.270936E-01 3.266300E+02 1.302100E+04 7.197095E-01 3.268270E+02 1.297000E+04 7.217832E-01 3.270240E+02 1.295800E+04 7.149231E-01 3.272210E+02 1.288200E+04 6.946230E-01 3.274180E+02 1.277900E+04 7.164031E-01 3.276150E+02 1.288800E+04 6.807691E-01 3.278120E+02 1.261400E+04 7.287827E-01 3.280090E+02 1.293700E+04 7.539177E-01 3.282050E+02 1.282600E+04 7.658167E-01 3.284020E+02 1.289200E+04 7.144071E-01 3.285990E+02 1.257100E+04 7.121020E-01 3.287960E+02 1.269100E+04 7.156903E-01 3.289930E+02 1.259300E+04 7.163572E-01 3.291900E+02 1.260200E+04 6.978065E-01 3.293870E+02 1.246800E+04 7.182513E-01 3.295830E+02 1.258400E+04 6.881999E-01 3.297800E+02 1.234100E+04 6.570855E-01 3.299770E+02 1.229500E+04 6.716509E-01 3.300470E+02 1.227865E+04 6.809408E-01