********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: C11H24N2 * Name: Carbene saturated #2 * Edge: N 1s * Alpha Formula: C11H24N2 * Data Source: Hitchcock * Filename: vw-0nnkk.os * Ref. Code: LU+99 * Write Date: 08/05/98 * Reference: Organometallics, (1999), to be sub. * Source and Purity: Dr. Denk (U of T) * Acquisition Mode: EELS, 2 deg, 2500eV CRE mode, 0.7eV fwhm *-------------------------------------------------------------- * No. of Spectra: 2 name1- 0vwn name2- 0vwn.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 3.894905E+02 6.197500E+04 -4.571314E-02 3.896905E+02 6.234300E+04 -9.201016E-03 3.898905E+02 6.223500E+04 -5.922229E-03 3.900905E+02 6.227800E+04 7.888454E-03 3.902905E+02 6.187400E+04 -9.679422E-03 3.904905E+02 6.214900E+04 2.035983E-02 3.906905E+02 6.176100E+04 3.770071E-03 3.908905E+02 6.161600E+04 4.205064E-03 3.910905E+02 6.138400E+04 -1.556976E-03 3.912905E+02 6.150000E+04 1.721699E-02 3.914905E+02 6.110500E+04 -1.975532E-04 3.916905E+02 6.133800E+04 2.682919E-02 3.918905E+02 6.058000E+04 -1.652603E-02 3.920905E+02 6.054800E+04 -8.404873E-03 3.922905E+02 6.078100E+04 1.857637E-02 3.924905E+02 5.999400E+04 -2.722735E-02 3.926905E+02 6.023100E+04 -1.033436E-05 3.928905E+02 6.003800E+04 -3.552768E-03 3.930905E+02 5.993800E+04 -4.878015E-04 3.932905E+02 5.961900E+04 -1.319888E-02 3.934905E+02 5.954100E+04 -8.659030E-03 3.936905E+02 5.990000E+04 2.733495E-02 3.938905E+02 5.934400E+04 -2.650290E-03 3.940905E+02 5.933600E+04 6.835747E-03 3.942115E+02 5.903813E+04 -8.640184E-03 3.944115E+02 5.887139E+04 -1.072399E-02 3.946115E+02 5.887257E+04 -6.753909E-04 3.948115E+02 5.873868E+04 -4.654474E-04 3.950115E+02 5.860895E+04 5.688524E-07 3.952115E+02 5.854619E+04 5.302006E-03 3.954115E+02 5.834975E+04 8.088678E-04 3.956115E+02 5.823389E+04 2.148344E-03 3.958115E+02 5.802850E+04 -3.116778E-03 3.960115E+02 5.794015E+04 1.438991E-04 3.962115E+02 5.775223E+04 -3.951331E-03 3.964115E+02 5.762412E+04 -3.702430E-03 3.966115E+02 5.749810E+04 -3.345322E-03 3.968115E+02 5.734416E+04 -5.096743E-03 3.970115E+02 5.729278E+04 6.866889E-04 3.972115E+02 5.707409E+04 -5.951968E-03 3.974115E+02 5.696974E+04 -4.173225E-03 3.976115E+02 5.679723E+04 -7.498274E-03 3.978115E+02 5.668741E+04 -6.215186E-03 3.982115E+02 5.657246E+04 4.044929E-03 3.983115E+02 5.651676E+04 4.578290E-03 3.984115E+02 5.657455E+04 1.358605E-02 3.985115E+02 5.647456E+04 1.079168E-02 3.986115E+02 5.637239E+04 7.818936E-03 3.987115E+02 5.622790E+04 1.657672E-03 3.988115E+02 5.613893E+04 -3.588590E-04 3.989115E+02 5.627272E+04 1.432911E-02 3.990115E+02 5.615703E+04 1.029069E-02 3.991115E+02 5.599939E+04 3.081900E-03 3.992115E+02 5.599091E+04 7.070104E-03 3.993115E+02 5.588430E+04 3.667767E-03 3.994115E+02 5.585073E+04 5.752529E-03 3.995115E+02 5.592807E+04 1.619233E-02 3.996115E+02 5.581283E+04 1.210558E-02 3.997115E+02 5.565686E+04 4.924847E-03 3.998115E+02 5.580031E+04 2.035256E-02 3.999115E+02 5.562879E+04 1.197083E-02 4.000115E+02 5.572328E+04 2.370112E-02 4.001115E+02 5.567440E+04 2.457780E-02 4.002115E+02 5.572259E+04 3.280336E-02 4.003115E+02 5.583512E+04 4.591368E-02 4.004115E+02 5.594295E+04 5.867644E-02 4.005115E+02 5.624552E+04 8.624610E-02 4.006115E+02 5.646617E+04 1.076181E-01 4.007115E+02 5.677724E+04 1.358921E-01 4.008115E+02 5.697491E+04 1.555645E-01 4.009115E+02 5.732370E+04 1.867749E-01 4.010115E+02 5.754921E+04 2.086191E-01 4.011115E+02 5.784704E+04 2.360074E-01 4.012115E+02 5.795056E+04 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4.064115E+02 7.424282E+04 1.782640E+00 4.065115E+02 7.394845E+04 1.764734E+00 4.066115E+02 7.354821E+04 1.738360E+00 4.067115E+02 7.328587E+04 1.722921E+00 4.068115E+02 7.305796E+04 1.710195E+00 4.069115E+02 7.271342E+04 1.688134E+00 4.070115E+02 7.260981E+04 1.685269E+00 4.071115E+02 7.224662E+04 1.661644E+00 4.072115E+02 7.193240E+04 1.641889E+00 4.073115E+02 7.180088E+04 1.636719E+00 4.074115E+02 7.173744E+04 1.636982E+00 4.075115E+02 7.149921E+04 1.623227E+00 4.076115E+02 7.139161E+04 1.619919E+00 4.077115E+02 7.114144E+04 1.605149E+00 4.078115E+02 7.121455E+04 1.616320E+00 4.079115E+02 7.095702E+04 1.600916E+00 4.080115E+02 7.091339E+04 1.602689E+00 4.081115E+02 7.087400E+04 1.604795E+00 4.082115E+02 7.063123E+04 1.590506E+00 4.083115E+02 7.068438E+04 1.600051E+00 4.084115E+02 7.053483E+04 1.593240E+00 4.085115E+02 7.056734E+04 1.601115E+00 4.086115E+02 7.059326E+04 1.608458E+00 4.087115E+02 7.046689E+04 1.603485E+00 4.088115E+02 7.051836E+04 1.612890E+00 4.089115E+02 7.030953E+04 1.601214E+00 4.090115E+02 7.019248E+04 1.596951E+00 4.091115E+02 7.012109E+04 1.596377E+00 4.092115E+02 7.003115E+04 1.594285E+00 4.093115E+02 6.992415E+04 1.590796E+00 4.094115E+02 6.970504E+04 1.578175E+00 4.095115E+02 6.963895E+04 1.577978E+00 4.096115E+02 6.939287E+04 1.563113E+00 4.097115E+02 6.921401E+04 1.553694E+00 4.098115E+02 6.898218E+04 1.539932E+00 4.099115E+02 6.880759E+04 1.530813E+00 4.100115E+02 6.866943E+04 1.524646E+00 4.101115E+02 6.847148E+04 1.513571E+00 4.102115E+02 6.823752E+04 1.499525E+00 4.103115E+02 6.808898E+04 1.492442E+00 4.104115E+02 6.786781E+04 1.479391E+00 4.105115E+02 6.750325E+04 1.454553E+00 4.106115E+02 6.738155E+04 1.449595E+00 4.107115E+02 6.700284E+04 1.423516E+00 4.108115E+02 6.679999E+04 1.411840E+00 4.109115E+02 6.665260E+04 1.404700E+00 4.110115E+02 6.633067E+04 1.383175E+00 4.111115E+02 6.608255E+04 1.367688E+00 4.112115E+02 6.589665E+04 1.357296E+00 4.113115E+02 6.567143E+04 1.343637E+00 4.114115E+02 6.540263E+04 1.326351E+00 4.115115E+02 6.508691E+04 1.305154E+00 4.116115E+02 6.482572E+04 1.288425E+00 4.117115E+02 6.461086E+04 1.275494E+00 4.118115E+02 6.450705E+04 1.271730E+00 4.119115E+02 6.433709E+04 1.262471E+00 4.120115E+02 6.417858E+04 1.254138E+00 4.121115E+02 6.391694E+04 1.237227E+00 4.122115E+02 6.363850E+04 1.218885E+00 4.123115E+02 6.339238E+04 1.203194E+00 4.124115E+02 6.311671E+04 1.185014E+00 4.125115E+02 6.289090E+04 1.170947E+00 4.126115E+02 6.272887E+04 1.162164E+00 4.127115E+02 6.259250E+04 1.155496E+00 4.128115E+02 6.238473E+04 1.142855E+00 4.129115E+02 6.221862E+04 1.133665E+00 4.130115E+02 6.201821E+04 1.121587E+00 4.131115E+02 6.199641E+04 1.124414E+00 4.132115E+02 6.171757E+04 1.105730E+00 4.133115E+02 6.163514E+04 1.103458E+00 4.134115E+02 6.144262E+04 1.091948E+00 4.135115E+02 6.126607E+04 1.081752E+00 4.136115E+02 6.095220E+04 1.060009E+00 4.137115E+02 6.087734E+04 1.058297E+00 4.138115E+02 6.070004E+04 1.047965E+00 4.139115E+02 6.058807E+04 1.043104E+00 4.140115E+02 6.031377E+04 1.024565E+00 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4.435300E+04 5.134715E-01 4.388905E+02 4.452600E+04 5.374719E-01 4.390905E+02 4.417300E+04 5.084338E-01 4.392905E+02 4.417700E+04 5.153739E-01 4.394905E+02 4.400800E+04 5.048067E-01