********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: C5H5TiCl3 * Name: Cyclopentadienyltitanium trichloride * Edge: Cl 2p * Alpha Formula: C5Cl3H5Ti * Data Source: Hitchcock * Filename: td-0cll3.os * Ref. Code: WH93 * Write Date: 98/08/07 * Reference: Can. J. Chem. 71 (1993) 1632. * Source and Purity: Strem * Acquisition Mode: EELS, 2 deg, 2500eV CRE mode, 0.7eV fwhm *-------------------------------------------------------------- * No. of Spectra: 2 name1- 0tdg1 name1- 0tdg1.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 1.874748E+02 2.410806E+03 3.338185E-02 1.875747E+02 2.351000E+03 -1.523573E-02 1.876957E+02 2.437000E+03 3.688150E-02 1.878177E+02 2.412000E+03 3.593189E-02 1.879397E+02 2.377000E+03 1.061507E-02 1.880607E+02 2.288000E+03 -5.424033E-02 1.881827E+02 2.373000E+03 -5.166854E-03 1.883047E+02 2.374000E+03 1.189994E-02 1.884257E+02 2.334000E+03 -1.300189E-02 1.885477E+02 2.391000E+03 2.412855E-02 1.886697E+02 2.289000E+03 -3.595909E-02 1.887907E+02 2.279000E+03 -5.585356E-02 1.889127E+02 2.279000E+03 -5.433731E-02 1.890347E+02 2.299000E+03 -3.706675E-02 1.891557E+02 2.361000E+03 1.305256E-02 1.892777E+02 2.389000E+03 4.586898E-02 1.893997E+02 2.313000E+03 -5.984590E-04 1.895207E+02 2.336000E+03 6.917928E-03 1.896427E+02 2.233000E+03 -5.965037E-02 1.897647E+02 2.320000E+03 -1.075693E-02 1.898857E+02 2.298000E+03 -9.657738E-03 1.900077E+02 2.424000E+03 7.990514E-02 1.901297E+02 2.349000E+03 4.934751E-02 1.902507E+02 2.280000E+03 -8.589425E-03 1.903727E+02 2.283000E+03 -1.431262E-02 1.904947E+02 2.320000E+03 1.575968E-02 1.906167E+02 2.241000E+03 -3.190603E-02 1.907377E+02 2.288000E+03 -7.686538E-03 1.908597E+02 2.358000E+03 5.317773E-02 1.909817E+02 2.241000E+03 -1.667384E-02 1.911027E+02 2.303000E+03 1.235046E-02 1.912247E+02 2.259000E+03 -6.298503E-03 1.913467E+02 2.251000E+03 -1.596088E-02 1.914677E+02 2.278000E+03 5.256151E-03 1.915897E+02 2.267000E+03 4.742453E-03 1.917117E+02 2.285000E+03 1.908497E-02 1.918327E+02 2.244000E+03 -4.555995E-03 1.919547E+02 2.322000E+03 4.836903E-02 1.920767E+02 2.352000E+03 8.566452E-02 1.921977E+02 2.181000E+03 -3.012395E-02 1.923197E+02 2.263000E+03 4.842655E-03 1.924417E+02 2.297000E+03 4.572801E-02 1.925627E+02 2.281000E+03 4.265508E-02 1.926847E+02 2.284000E+03 4.535835E-02 1.928067E+02 2.292000E+03 5.476949E-02 1.929277E+02 2.304000E+03 6.786706E-02 1.930497E+02 2.201000E+03 -2.156789E-03 1.931717E+02 2.190000E+03 -2.368442E-02 1.932927E+02 2.277000E+03 4.097690E-02 1.934147E+02 2.217000E+03 1.435007E-02 1.935367E+02 2.223000E+03 1.213445E-02 1.936577E+02 2.102000E+03 -7.227728E-02 1.937797E+02 2.196000E+03 -2.011489E-02 1.939017E+02 2.161000E+03 -2.755214E-02 1.940227E+02 2.213000E+03 7.881035E-03 1.941447E+02 2.241000E+03 3.999012E-02 1.942667E+02 2.234000E+03 4.245912E-02 1.943877E+02 2.131000E+03 -3.126704E-02 1.945097E+02 2.118000E+03 -5.468038E-02 1.946317E+02 2.140000E+03 -3.758475E-02 1.947527E+02 2.244000E+03 4.553993E-02 1.948747E+02 2.128000E+03 -1.995634E-02 1.949967E+02 2.135000E+03 -3.065721E-02 1.951177E+02 2.191000E+03 1.479756E-02 1.952397E+02 2.257000E+03 7.589146E-02 1.953617E+02 2.126000E+03 -7.271675E-03 1.954827E+02 2.124000E+03 -2.715943E-02 1.956047E+02 2.191000E+03 2.521777E-02 1.957267E+02 2.151000E+03 9.525476E-03 1.958477E+02 2.095000E+03 -3.556367E-02 1.959697E+02 2.121000E+03 -2.249394E-02 1.960917E+02 2.093000E+03 -3.607395E-02 1.962127E+02 2.059000E+03 -6.299593E-02 1.963347E+02 2.130000E+03 -1.273393E-02 1.964567E+02 2.083000E+03 -3.312897E-02 1.965787E+02 2.194000E+03 4.501237E-02 1.966997E+02 2.124000E+03 1.409230E-02 1.968217E+02 2.121000E+03 3.226233E-03 1.969437E+02 2.076000E+03 -2.795557E-02 1.970647E+02 2.056000E+03 -4.739349E-02 1.971867E+02 2.120000E+03 2.266215E-04 1.973087E+02 2.086000E+03 -1.170740E-02 1.974297E+02 2.085000E+03 -1.512662E-02 1.975517E+02 2.135000E+03 2.527619E-02 1.976737E+02 2.283000E+03 1.479335E-01 1.977947E+02 2.250000E+03 1.507803E-01 1.979167E+02 2.304000E+03 1.890607E-01 1.980387E+02 2.173000E+03 1.023695E-01 1.981597E+02 2.327000E+03 1.996572E-01 1.982817E+02 2.298000E+03 2.067501E-01 1.984037E+02 2.273000E+03 1.861631E-01 1.985247E+02 2.241000E+03 1.609264E-01 1.986467E+02 2.257000E+03 1.707669E-01 1.987687E+02 2.299000E+03 2.083896E-01 1.991337E+02 2.307000E+03 2.318029E-01 1.992547E+02 2.252000E+03 1.936309E-01 1.993767E+02 2.227000E+03 1.684239E-01 1.994987E+02 2.245000E+03 1.810382E-01 1.996197E+02 2.378000E+03 2.883559E-01 1.997417E+02 2.279000E+03 2.385673E-01 1.998637E+02 2.274000E+03 2.212406E-01 1.999847E+02 2.240000E+03 1.975731E-01 2.001067E+02 2.175000E+03 1.451942E-01 2.002287E+02 2.180000E+03 1.411250E-01 2.003497E+02 2.125000E+03 1.029516E-01 2.004717E+02 2.112000E+03 8.664387E-02 2.005937E+02 2.155000E+03 1.204585E-01 2.007147E+02 2.185000E+03 1.537538E-01 2.008367E+02 2.085000E+03 8.508638E-02 2.009587E+02 2.114000E+03 9.344938E-02 2.010797E+02 2.209000E+03 1.743650E-01 2.012017E+02 2.159000E+03 1.551878E-01 2.013237E+02 2.203000E+03 1.836804E-01 2.014447E+02 2.199000E+03 1.911428E-01 2.015667E+02 2.257000E+03 2.383433E-01 2.016887E+02 2.301000E+03 2.853616E-01 2.018097E+02 2.158000E+03 1.855725E-01 2.019317E+02 2.278000E+03 2.569552E-01 2.020537E+02 2.324000E+03 3.162328E-01 2.021747E+02 2.428000E+03 4.077577E-01 2.022967E+02 2.293000E+03 3.241711E-01 2.024187E+02 2.435000E+03 4.145414E-01 2.025407E+02 2.301000E+03 3.379559E-01 2.026617E+02 2.276000E+03 2.987272E-01 2.027837E+02 2.208000E+03 2.446094E-01 2.029057E+02 2.235000E+03 2.570811E-01 2.030267E+02 2.348000E+03 3.527898E-01 2.031487E+02 2.295000E+03 3.342179E-01 2.032707E+02 2.277000E+03 3.142102E-01 2.033917E+02 2.440000E+03 4.414498E-01 2.035137E+02 2.408000E+03 4.480183E-01 2.036357E+02 2.480000E+03 5.021449E-01 2.037567E+02 2.511000E+03 5.421143E-01 2.038787E+02 2.550000E+03 5.814462E-01 2.040007E+02 2.518000E+03 5.664437E-01 2.041217E+02 2.672000E+03 6.849955E-01 2.042437E+02 2.644000E+03 6.933384E-01 2.043657E+02 2.647000E+03 6.942963E-01 2.044867E+02 2.645000E+03 6.966692E-01 2.046087E+02 2.736000E+03 7.714933E-01 2.047307E+02 2.693000E+03 7.569084E-01 2.048517E+02 2.810000E+03 8.450878E-01 2.049737E+02 2.812000E+03 8.707808E-01 2.050957E+02 3.066000E+03 1.075551E+00 2.053387E+02 3.023000E+03 1.089565E+00 2.054607E+02 3.118000E+03 1.164850E+00 2.055817E+02 3.186000E+03 1.239087E+00 2.057037E+02 3.373000E+03 1.403411E+00 2.058257E+02 3.325000E+03 1.402027E+00 2.059467E+02 3.384000E+03 1.444409E+00 2.060687E+02 3.563000E+03 1.601326E+00 2.061907E+02 3.689000E+03 1.737252E+00 2.063117E+02 3.514000E+03 1.624384E+00 2.064337E+02 3.718000E+03 1.760260E+00 2.065557E+02 3.796000E+03 1.862709E+00 2.066767E+02 3.948000E+03 2.001990E+00 2.067987E+02 3.874000E+03 1.974296E+00 2.069207E+02 3.984000E+03 2.053712E+00 2.070417E+02 3.955000E+03 2.054414E+00 2.071637E+02 3.940000E+03 2.041727E+00 2.072857E+02 4.105000E+03 2.175922E+00 2.074067E+02 4.221000E+03 2.302636E+00 2.075287E+02 4.253000E+03 2.353753E+00 2.076507E+02 4.310000E+03 2.409992E+00 2.077717E+02 4.217000E+03 2.350132E+00 2.078937E+02 4.353000E+03 2.447742E+00 2.080157E+02 4.341000E+03 2.467033E+00 2.081377E+02 4.573000E+03 2.656864E+00 2.082587E+02 4.438000E+03 2.594278E+00 2.083807E+02 4.547000E+03 2.663013E+00 2.085027E+02 4.606000E+03 2.735110E+00 2.086237E+02 4.636000E+03 2.774843E+00 2.087457E+02 4.756000E+03 2.882478E+00 2.088677E+02 4.760000E+03 2.912287E+00 2.089887E+02 4.714000E+03 2.880865E+00 2.091107E+02 4.722000E+03 2.884184E+00 2.092327E+02 4.609000E+03 2.798931E+00 2.093537E+02 4.959000E+03 3.067760E+00 2.094757E+02 4.749000E+03 2.965436E+00 2.095977E+02 4.863000E+03 3.025758E+00 2.097187E+02 4.786000E+03 2.988780E+00 2.098407E+02 4.812000E+03 3.001225E+00 2.099627E+02 4.859000E+03 3.049471E+00 2.100837E+02 4.824000E+03 3.034589E+00 2.102057E+02 4.953000E+03 3.138924E+00 2.103277E+02 4.893000E+03 3.118400E+00 2.104487E+02 4.949000E+03 3.158585E+00 2.105707E+02 4.801000E+03 3.052805E+00 2.106927E+02 4.966000E+03 3.166610E+00 2.108137E+02 4.869000E+03 3.122261E+00 2.109357E+02 5.043000E+03 3.252774E+00 2.110577E+02 4.907000E+03 3.177871E+00 2.111787E+02 4.918000E+03 3.167513E+00 2.113007E+02 4.948000E+03 3.199535E+00 2.114227E+02 5.074000E+03 3.314153E+00 2.115437E+02 4.927000E+03 3.221416E+00 2.116657E+02 4.819000E+03 3.110647E+00 2.117877E+02 4.888000E+03 3.153232E+00 2.119087E+02 5.000000E+03 3.263466E+00 2.120307E+02 4.952000E+03 3.249714E+00 2.122737E+02 5.042000E+03 3.334383E+00 2.123957E+02 4.965000E+03 3.284198E+00 2.125177E+02 5.023000E+03 3.323621E+00 2.126387E+02 5.062000E+03 3.371932E+00 2.127607E+02 5.108000E+03 3.422813E+00 2.128827E+02 5.150000E+03 3.471662E+00 2.130037E+02 5.025000E+03 3.380958E+00 2.131257E+02 4.950000E+03 3.300760E+00 2.132477E+02 4.932000E+03 3.277338E+00 2.133687E+02 4.902000E+03 3.254346E+00 2.134907E+02 4.985000E+03 3.323425E+00 2.136127E+02 5.036000E+03 3.386726E+00 2.137337E+02 5.015000E+03 3.383981E+00 2.138557E+02 4.971000E+03 3.348666E+00 2.139777E+02 4.929000E+03 3.310751E+00 2.140997E+02 4.960000E+03 3.334342E+00 2.142207E+02 5.010000E+03 3.387289E+00 2.144647E+02 4.821000E+03 3.231114E+00 2.145857E+02 4.925000E+03 3.306165E+00 2.147077E+02 4.913000E+03 3.320867E+00 2.148297E+02 5.103000E+03 3.484045E+00 2.149507E+02 5.036000E+03 3.468406E+00 2.150727E+02 4.816000E+03 3.275707E+00 2.151947E+02 5.116000E+03 3.493368E+00 2.153157E+02 4.881000E+03 3.356477E+00 2.154377E+02 4.951000E+03 3.376879E+00 2.155597E+02 5.011000E+03 3.446099E+00 2.156807E+02 4.866000E+03 3.340111E+00 2.158027E+02 4.845000E+03 3.300349E+00 2.159247E+02 4.937000E+03 3.379783E+00 2.160457E+02 4.916000E+03 3.384537E+00 2.161677E+02 5.025000E+03 3.478557E+00 2.162897E+02 4.795000E+03 3.308882E+00 2.164107E+02 4.896000E+03 3.356798E+00 2.165327E+02 4.957000E+03 3.433210E+00 2.166547E+02 4.954000E+03 3.447520E+00 2.167757E+02 5.056000E+03 3.539163E+00 2.168977E+02 4.838000E+03 3.377929E+00 2.170197E+02 4.987000E+03 3.469517E+00 2.171407E+02 4.841000E+03 3.378395E+00 2.172627E+02 4.833000E+03 3.349142E+00 2.173847E+02 4.811000E+03 3.334126E+00 2.175057E+02 4.913000E+03 3.422479E+00 2.176277E+02 4.852000E+03 3.394992E+00 2.177497E+02 4.910000E+03 3.438585E+00 2.178707E+02 4.929000E+03 3.471197E+00 2.179927E+02 4.806000E+03 3.374522E+00 2.181147E+02 4.891000E+03 3.429646E+00 2.182357E+02 4.895000E+03 3.454543E+00 2.184797E+02 4.866000E+03 3.438336E+00 2.186007E+02 4.806000E+03 3.389238E+00 2.187227E+02 4.845000E+03 3.416732E+00 2.188447E+02 4.815000E+03 3.403591E+00 2.189657E+02 4.928000E+03 3.500713E+00 2.190877E+02 4.876000E+03 3.482858E+00 2.192097E+02 4.768000E+03 3.384788E+00 2.193307E+02 4.759000E+03 3.361642E+00 2.194527E+02 4.793000E+03 3.394701E+00 2.195747E+02 4.693000E+03 3.319719E+00 2.196957E+02 4.762000E+03 3.365624E+00 2.198177E+02 4.596000E+03 3.239928E+00 2.199397E+02 4.548000E+03 3.171520E+00 2.200617E+02 4.823000E+03 3.406909E+00 2.201827E+02 4.766000E+03 3.415431E+00 2.203047E+02 4.689000E+03 3.342557E+00 2.204267E+02 4.704000E+03 3.346102E+00 2.206697E+02 4.627000E+03 3.284787E+00 2.209127E+02 4.513000E+03 3.176960E+00 2.210347E+02 4.619000E+03 3.263914E+00 2.211567E+02 4.508000E+03 3.192271E+00 2.212777E+02 4.545000E+03 3.208301E+00 2.213997E+02 4.596000E+03 3.265452E+00 2.215217E+02 4.657000E+03 3.334126E+00 2.216427E+02 4.431000E+03 3.152758E+00 2.217647E+02 4.442000E+03 3.123325E+00 2.218867E+02 4.432000E+03 3.121726E+00 2.220077E+02 4.480000E+03 3.167044E+00 2.221297E+02 4.515000E+03 3.212431E+00 2.222517E+02 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