********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: C4H9OH * Name: t-Butyl alcohol * Edge: O 1s * Alpha Formula: C4H10O * Data Source: Hitchcock * Filename: tl-0ookk.os * Ref. Code: MI&87 * Write Date: 93/06/10 * Reference: J.Chem.Phys. 87 (87) 4344. * Source and Purity: (borrowed) * Acquisition Mode: EELS, 2 deg., 2500 eV CRE, 0.7 eV fwhm *-------------------------------------------------------------- * No. of Spectra: 3 name1- 0tlo.add name2- 0tlo-ox.add name3- 0tlo.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 5.234800E+02 2.201760E+04 2.201979E+04 -4.758705E-03 5.235690E+02 2.254470E+04 2.254689E+04 2.379052E-02 5.236570E+02 2.205000E+04 2.205220E+04 -2.699824E-03 5.237460E+02 2.220470E+04 2.220689E+04 5.875167E-03 5.238350E+02 2.198840E+04 2.199060E+04 -5.509125E-03 5.239240E+02 2.215020E+04 2.215278E+04 3.681373E-03 5.240120E+02 2.227600E+04 2.227927E+04 1.098458E-02 5.241010E+02 2.220980E+04 2.221376E+04 8.000280E-03 5.241900E+02 2.200610E+04 2.201075E+04 -2.448315E-03 5.242780E+02 2.207690E+04 2.208211E+04 2.091139E-03 5.243670E+02 2.180310E+04 2.180764E+04 -6.673920E-03 5.244560E+02 2.203720E+04 2.204107E+04 1.453056E-03 5.245440E+02 2.213920E+04 2.214241E+04 7.837896E-03 5.246330E+02 2.199080E+04 2.199334E+04 5.496484E-04 5.247220E+02 2.199630E+04 2.199847E+04 1.583457E-03 5.248100E+02 2.179680E+04 2.179878E+04 -8.662774E-03 5.248990E+02 2.175560E+04 2.175738E+04 -8.454999E-03 5.249880E+02 2.228820E+04 2.228978E+04 1.930209E-02 5.250760E+02 2.210470E+04 2.210602E+04 9.533089E-03 5.251650E+02 2.193230E+04 2.193307E+04 2.905056E-04 5.252540E+02 2.182660E+04 2.182681E+04 -5.339184E-03 5.253420E+02 2.198310E+04 2.198276E+04 3.474723E-03 5.254310E+02 2.200670E+04 2.200580E+04 4.923867E-03 5.255200E+02 2.171900E+04 2.171815E+04 -8.128836E-03 5.256080E+02 2.162680E+04 2.162621E+04 -3.177092E-03 5.256970E+02 2.182400E+04 2.182368E+04 -4.605853E-03 5.257860E+02 2.173620E+04 2.173615E+04 -9.033063E-03 5.258750E+02 2.185720E+04 2.185750E+04 -1.583457E-03 5.259630E+02 2.191550E+04 2.191635E+04 2.612087E-03 5.260520E+02 2.151310E+04 2.151451E+04 -3.426262E-04 5.261410E+02 2.172150E+04 2.172346E+04 -6.024582E-03 5.262290E+02 2.165410E+04 2.165661E+04 -8.680938E-03 5.263180E+02 2.158530E+04 2.158721E+04 -7.563287E-03 5.264070E+02 2.158140E+04 2.158243E+04 -8.193653E-03 5.264950E+02 2.148340E+04 2.148356E+04 -3.351789E-03 5.265840E+02 2.165050E+04 2.164979E+04 -5.865243E-03 5.266730E+02 2.149940E+04 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2.731388E+04 4.170412E-01 5.351860E+02 2.840620E+04 2.840380E+04 4.878561E-01 5.352750E+02 2.962490E+04 2.962347E+04 5.676543E-01 5.353640E+02 3.077870E+04 3.077975E+04 6.435211E-01 5.354520E+02 3.178560E+04 3.178000E+04 7.099692E-01 5.355410E+02 3.328640E+04 3.327975E+04 8.084034E-01 5.356300E+02 3.391980E+04 3.391166E+04 8.508320E-01 5.357180E+02 3.475600E+04 3.474733E+04 9.063915E-01 5.358070E+02 3.515120E+04 3.514187E+04 9.334310E-01 5.358960E+02 3.529820E+04 3.528424E+04 9.444667E-01 5.359850E+02 3.519340E+04 3.518726E+04 9.392047E-01 5.360730E+02 3.498490E+04 3.497504E+04 9.273852E-01 5.361620E+02 3.483760E+04 3.483382E+04 9.195790E-01 5.362510E+02 3.424650E+04 3.424188E+04 8.829826E-01 5.363390E+02 3.454680E+04 3.453880E+04 9.044958E-01 5.364280E+02 3.409170E+04 3.408335E+04 8.766828E-01 5.365170E+02 3.402720E+04 3.401429E+04 8.743916E-01 5.366050E+02 3.447610E+04 3.446475E+04 9.057427E-01 5.366940E+02 3.400610E+04 3.399999E+04 8.770168E-01 5.367830E+02 3.446870E+04 3.445582E+04 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