********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: CH2CN * Name: Acetonitrile * Edge: C 1s * Alpha Formula: C2H3N * Data Source: Hitchcock * Filename: an-0cckk.os * Ref. Code: HTM89 * Write Date: 93/06/10 * Reference: J. Phys. Chem. 93 (89) 3068. * Source and Purity: N/A * Acquisition Mode: EELS, 2 deg, 2500 eV CRE mode, 0.7 eV fwhm *-------------------------------------------------------------- * No. of Spectra: 2 name1- 0anc4 name2- 0anc.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 279.0110 8249.000 9.4473480E-03 279.1380 8489.000 1.1271360E-02 279.2640 8192.000 1.0155800E-02 279.3910 8292.000 8.6589240E-03 279.5180 8344.000 9.7172670E-03 279.6450 8227.000 9.3268240E-03 279.7720 8340.000 1.0136690E-02 279.8990 8185.000 9.8024090E-03 280.0260 8187.000 9.6771140E-03 280.1530 8198.000 9.4101280E-03 280.2800 8129.000 1.0412250E-02 280.4070 8372.000 1.1853300E-02 280.5340 8027.000 1.1851000E-02 280.6610 8202.000 9.6297940E-03 280.7880 8229.000 1.0300940E-02 280.9150 8241.000 1.0733890E-02 281.0420 8159.000 9.6614430E-03 281.1690 7927.000 1.2998400E-02 281.2960 8113.000 9.9242560E-03 281.4230 8131.000 9.9288330E-03 281.5500 8247.000 1.2034930E-02 281.6770 8244.000 1.2228990E-02 281.8040 8129.000 1.0616150E-02 281.9300 7899.000 1.2910650E-02 282.0570 8227.000 1.2679520E-02 282.1840 7923.000 1.2342810E-02 282.3110 7921.000 1.2284560E-02 282.4380 7971.000 1.1381200E-02 282.5650 8029.000 1.0428990E-02 282.6920 7926.000 1.1928460E-02 282.8190 8243.000 1.4397230E-02 282.9460 8098.000 1.2271990E-02 283.0730 8095.000 1.2463180E-02 283.2000 8141.000 1.3457150E-02 283.3270 8001.000 1.1403430E-02 283.4540 8070.000 1.2775940E-02 283.5810 8015.000 1.2113000E-02 283.7080 8164.000 1.4805900E-02 283.8350 8211.000 1.5823300E-02 283.9620 8184.000 1.5621580E-02 284.0890 8248.000 1.6923460E-02 284.2160 8159.000 1.5695910E-02 284.3430 8432.000 2.0465320E-02 284.4700 8416.000 2.0450500E-02 284.5960 8509.000 2.2245620E-02 284.7230 9009.000 3.0818370E-02 284.8500 8939.000 2.9914940E-02 284.9770 9339.000 3.6851780E-02 285.1040 9804.000 4.4893140E-02 285.2310 10577.00 5.8109070E-02 285.3580 11747.00 7.8011620E-02 285.4850 13460.00 .1070760 285.6120 16450.00 .1576690 285.7390 20892.00 .2328214 285.8660 28011.00 .3532653 285.9930 38652.00 .5334340 286.1200 55819.00 .8242984 286.2470 79627.00 1.228247 286.3740 112715.0 1.790419 286.5010 153431.0 2.483433 286.6280 197149.0 3.229258 286.7550 235018.0 3.877622 286.8820 255070.0 4.224380 287.0090 247855.0 4.107224 287.1360 213984.0 3.534744 287.2630 168180.0 2.756758 287.3890 122616.0 1.980793 287.5160 86484.00 1.364418 287.6430 62394.00 .9530510 287.7700 49252.00 .7287118 287.8970 43943.00 .6385520 288.0240 43855.00 .6381027 288.1510 46490.00 .6846275 288.2780 49971.00 .7458834 288.4050 54247.00 .8210583 288.5320 58408.00 .8944348 288.6590 63043.00 .9762271 288.7860 67664.00 1.057989 288.9130 70809.00 1.114297 289.0400 71910.00 1.135160 289.1670 71031.00 1.121550 289.2940 69240.00 1.091982 289.4210 68561.00 1.081774 289.5480 69573.00 1.101137 289.6750 70404.00 1.117373 289.8020 71926.00 1.145780 289.9290 71506.00 1.140126 290.0550 70804.00 1.129488 290.1820 70699.00 1.129342 290.3090 72799.00 1.168099 290.4360 76073.00 1.227695 290.5630 80926.00 1.315380 290.6900 84215.00 1.375590 290.8170 86448.00 1.417223 290.9440 86857.00 1.426569 291.0710 87749.00 1.444524 291.1980 88661.00 1.462876 291.3250 89741.00 1.484271 291.4520 90942.00 1.507879 291.5790 91221.00 1.515059 291.7060 91170.00 1.516351 291.8330 89965.00 1.496958 291.9600 89050.00 1.482716 292.0870 86514.00 1.439297 292.2140 86019.00 1.432491 292.3410 85494.00 1.425123 292.4680 84063.00 1.401386 292.5950 83577.00 1.394656 292.7210 82457.00 1.376431 292.8480 82076.00 1.371540 292.9750 80407.00 1.343281 293.1020 79636.00 1.331245 293.2290 79462.00 1.330039 293.3560 78575.00 1.315837 293.4830 77673.00 1.301324 293.6100 77177.00 1.294183 293.7370 76067.00 1.275792 293.8640 74879.00 1.255926 293.9910 74749.00 1.255393 294.1180 73509.00 1.234487 294.2450 72215.00 1.212535 294.3720 71777.00 1.206269 294.4990 70665.00 1.187567 294.6260 69350.00 1.165063 294.7530 68368.00 1.148655 294.8800 67523.00 1.134730 295.0070 67101.00 1.128605 295.1340 66357.00 1.116486 295.2610 65314.00 1.098785 295.3880 64712.00 1.089230 295.5140 64284.00 1.082883 295.6410 63274.00 1.065676 295.7680 62608.00 1.054835 295.8950 62131.00 1.047504 296.0220 61808.00 1.043028 296.1490 61395.00 1.036850 296.2760 60994.00 1.030882 296.4030 60752.00 1.027884 296.5300 60432.00 1.023401 296.6570 60797.00 1.031812 296.7840 60141.00 1.020986 296.9110 60391.00 1.027236 297.0380 60872.00 1.037867 297.1650 59641.00 1.016116 297.2920 59909.00 1.022716 297.4190 59333.00 1.013314 297.5460 59205.00 1.012396 297.6730 58850.00 1.007158 297.8000 58371.00 .9995394 297.9270 58533.00 1.004126 298.0540 57792.00 .9914736 298.1800 57576.00 .9888220 298.3070 56945.00 .9782212 298.4340 57268.00 .9858781 298.5610 56216.00 .9671592 298.6880 55772.00 .9600720 298.8150 56189.00 .9695435 298.9420 55648.00 .9605721 299.0690 55502.00 .9591941 299.1960 55685.00 .9641683 299.3230 55564.00 .9632713 299.4500 54709.00 .9481537 299.5770 54811.00 .9515541 299.7040 54278.00 .9426284 299.8310 54009.00 .9388119 299.9580 53910.00 .9382958 300.0850 53591.00 .9334820 300.2120 53570.00 .9344740 300.3390 53592.00 .9363095 300.4660 52874.00 .9236583 300.5930 53074.00 .9289657 300.7200 53108.00 .9310269 300.8460 52490.00 .9202745 300.9730 52389.00 .9196674 301.1000 52437.00 .9219933 301.2270 52152.00 .9177543 301.3540 52270.00 .9214607 301.4810 52265.00 .9227442 301.6080 52237.00 .9235713 301.7350 52297.00 .9261428 301.8620 52228.00 .9261628 301.9890 52310.00 .9291756 302.1160 52328.00 .9309230 302.2430 53256.00 .9508017 302.3700 52886.00 .9448321 302.4970 53026.00 .9490353 302.6240 53694.00 .9638088 302.7510 53716.00 .9656774 302.8780 53676.00 .9663054 303.0050 53891.00 .9720550 303.1320 53885.00 .9733722 303.2590 54088.00 .9788963 303.3860 54668.00 .9920335 303.5130 54841.00 .9969852 303.6390 55083.00 1.003338 303.7660 55673.00 1.016750 303.8930 55451.00 1.013744 304.0200 55386.00 1.013911 304.1470 55636.00 1.020473 304.2740 56200.00 1.033437 304.4010 56400.00 1.039019 304.5280 56567.00 1.043937 304.6550 56559.00 1.045297 304.7820 57320.00 1.062374 304.9090 57059.00 1.058575 305.0360 57400.00 1.067101 305.1630 57694.00 1.074681 305.2900 57595.00 1.074203 305.4170 58238.00 1.088987 305.5440 57855.00 1.082671 305.6710 58192.00 1.091189 305.7980 58233.00 1.093611 305.9250 58355.00 1.097707 306.0520 58618.00 1.104737 306.1790 58230.00 1.098288 306.3050 58782.00 1.111316 306.4320 58413.00 1.105246 306.5590 58747.00 1.113784 306.6860 59044.00 1.121572 306.8130 58488.00 1.111585 306.9400 58597.00 1.115457 307.0670 58757.00 1.120402 307.1940 58489.00 1.116400 307.3210 58291.00 1.113851 307.4480 57995.00 1.109232 307.5750 58271.00 1.116621 307.7020 58162.00 1.115929 307.8290 58178.00 1.117861 307.9560 57992.00 1.115536 308.0830 58023.00 1.117788 308.2100 58046.00 1.119874 308.3370 58011.00 1.120728 308.4640 57150.00 1.104079 308.5910 57617.00 1.115567 308.7180 57306.00 1.110555 308.8450 57632.00 1.119074 308.9710 57068.00 1.108650 309.0980 57173.00 1.112474 309.2250 56883.00 1.107866 309.3520 56995.00 1.111841 309.4790 56962.00 1.112714 309.6060 56910.00 1.113185 309.7330 56652.00 1.109235 309.8600 56864.00 1.115366 309.9870 56190.00 1.102452 310.1140 55751.00 1.094565 310.2410 55845.00 1.098151 310.3680 55081.00 1.083216 310.4950 54614.00 1.074658 310.6220 55048.00 1.085587 310.7490 55181.00 1.090019 310.8760 54468.00 1.076092 311.0030 54342.00 1.074886 311.1300 53845.00 1.065606 311.2570 54187.00 1.074572 311.3840 53404.00 1.059020 311.5110 53332.00 1.058955 311.6380 53529.00 1.064773 311.7640 53095.00 1.056784 311.8910 52829.00 1.052456 312.0180 52633.00 1.049652 312.1450 52199.00 1.041610 312.2720 52561.00 1.051056 312.3990 51974.00 1.039618 312.5260 51743.00 1.036008 312.6530 51662.00 1.035692 312.7800 51667.00 1.037275 312.9070 51306.00 1.030760 313.0340 50927.00 1.023828 313.1610 51047.00 1.027948 313.2880 50730.00 1.022366 313.4150 50540.00 1.019592 313.5420 50133.00 1.011982 313.6690 49799.00 1.005973 313.7960 49089.00 .9915528 313.9230 49111.00 .9934567 314.0500 48986.00 .9920735 314.1770 48931.00 .9922550 314.3040 48690.00 .9882616 314.4300 47905.00 .9720302 314.5570 48112.00 .9780771 314.6840 48137.00 .9800299 314.8110 47578.00 .9688242 314.9380 47529.00 .9690966 315.0650 46618.00 .9498864 315.1920 46557.00 .9498637 315.3190 46530.00 .9506122 315.4460 46366.00 .9482512 315.5730 45789.00 .9364969 315.7000 45682.00 .9354023 315.8270 45397.00 .9302477 315.9540 44971.00 .9218656 316.0810 44923.00 .9220886 316.2080 44383.00 .9110707 316.3350 44679.00 .9191488 316.4620 44723.00 .9214723 316.5890 44112.00 .9087701 316.7160 43584.00 .8979446 316.8430 43953.00 .9077176 316.9700 43086.00 .8890565 317.0960 43252.00 .8941559 317.2230 43034.00 .8904046 317.3500 43102.00 .8932540 317.4770 42742.00 .8862023 317.6040 42309.00 .8774443 317.7310 42439.00 .8817182 317.8580 42295.00 .8796391 317.9850 42119.00 .8768083 318.1120 41700.00 .8683129 318.2390 41715.00 .8699061 318.3660 41614.00 .8687938 318.4930 41630.00 .8704159 318.6200 41112.00 .8595474 318.7470 40914.00 .8561440 318.8740 40607.00 .8501715 319.0010 40674.00 .8529672 319.1280 40514.00 .8504316 319.2550 40357.00 .8479534 319.3820 40247.00 .8465796 319.5090 39941.00 .8405749 319.6360 39979.00 .8426825 319.7630 39587.00 .8346194 319.8890 39350.00 .8302068 320.0160 39455.00 .8338884 320.1430 39419.00 .8342270 320.2700 39269.00 .8318616 320.3970 39167.00 .8306285 320.5240 38783.00 .8226703 320.6510 38760.00 .8233073 320.7780 38332.00 .8142691 320.9050 38411.00 .8173279 321.0320 38423.00 .8187876 321.1590 38539.00 .8227401 321.2860 38157.00 .8147565 321.4130 38144.00 .8156114 321.5400 37442.00 .7999005 321.6670 37866.00 .8112636 321.7940 37403.00 .8012624 321.9210 37388.00 .8020533 322.0480 37387.00 .8031812 322.1750 36921.00 .7930544 322.3020 37171.00 .8002492 322.4290 37313.00 .8048443 322.5550 36727.00 .7917647 322.6820 36994.00 .7993920 322.8090 36943.00 .7992974 322.9360 36425.00 .7878163 323.0630 36189.00 .7831926 323.1900 36191.00 .7843614 323.3170 36095.00 .7831436 323.4440 36148.00 .7855607 323.5710 35714.00 .7760519 323.6980 35710.00 .7770644 323.8250 35665.00 .7770764 323.9520 35534.00 .7749649 324.0790 35437.00 .7736890 324.2060 35328.00 .7721105 324.3330 35665.00 .7815367 324.4600 35141.00 .7697067 324.5870 35220.00 .7727659 324.7140 35190.00 .7731295 324.8410 35249.00 .7756989 324.9680 34627.00 .7613554 325.0950 34980.00 .7712269 325.2210 34832.00 .7686408 325.3480 34580.00 .7634623 325.4750 34987.00 .7747082 325.6020 34181.00 .7556757 325.7290 34105.00 .7548569 325.8560 34002.00 .7533627 325.9830 34395.00 .7642958 326.1100 34335.00 .7638795 326.2370 34052.00 .7578610 326.3640 33832.00 .7534091 326.4910 33699.00 .7511339 326.6180 33619.00 .7501911 326.7450 34106.00 .7635611 326.8720 33506.00 .7494770 326.9990 33679.00 .7549320 327.1260 33720.00 .7570437 327.2530 33250.00 .7462000 327.3800 33551.00 .7549113 327.5070 33234.00 .7479259 327.6340 33392.00 .7530138 327.7610 32800.00 .7389941 327.8880 33087.00 .7473797 328.0140 32823.00 .7416946 328.1410 32872.00 .7440065 328.2680 32777.00 .7426301 328.3950 32299.00 .7314327 328.5220 32440.00 .7360950 328.6490 32516.00 .7391015 328.7760 32316.00 .7350076 328.9030 32213.00 .7333993 329.0300 32417.00 .7397121 329.1570 31916.00 .7278212 329.2840 32205.00 .7363305 329.4110 31991.00 .7318433 329.5380 32208.00 .7385050 329.6650 31914.00 .7319258 329.7920 31677.00 .7268100 329.9190 31913.00 .7339854 330.0460 31687.00 .7291434 330.1730 31670.00 .7297377 330.3000 31163.00 .7175406 330.4270 31430.00 .7255422 330.5540 31301.00 .7231978 330.6800 31564.00 .7311083 330.8070 31510.00 .7307329 330.9340 31132.00 .7218431 331.0610 31174.00 .7239711 331.1880 31142.00 .7241572 331.3150 31260.00 .7282913 331.4420 30707.00 .7147354 331.5690 31057.00 .7249961 331.6960 31129.00 .7279279 331.8230 31137.00 .7291715 331.9500 30778.00 .7206879 332.0770 30932.00 .7257956 332.2040 30653.00 .7194106 332.3310 30269.00 .7102104 332.4580 30415.00 .7151078 332.5850 30607.00 .7212417 332.7120 30554.00 .7208445 332.8390 30146.00 .7109613 332.9660 30244.00 .7145879 333.0930 29976.00 .7084211 333.2200 30087.00 .7124041 333.3460 29984.00 .7106408 333.4730 29817.00 .7071573 333.6000 30295.00 .7210181 333.7270 30035.00 .7150303 333.8540 29908.00 .7126147 333.9810 29777.00 .7100827 334.1080 29994.00 .7169514 334.2350 29493.00 .7043976 334.3620 29639.00 .7093516 334.4890 29350.00 .7025133 334.6160 29299.00 .7021188 334.7430 29295.00 .7030027 334.8700 29207.00 .7015951 334.9970 29162.00 .7013590 335.1240 29215.00 .7037923 335.2510 29052.00 .7003357 335.3780 28983.00 .6994349 335.5050 28996.00 .7007775 335.6320 29071.00 .7038178 335.7590 28868.00 .6992337 335.8860 28858.00 .6999431 336.0130 28877.00 .7014551 336.1390 28646.00 .6960723 336.2660 28585.00 .6953720 336.3930 28928.00 .7058148 336.5200 28383.00 .6917481 336.6470 28342.00 .6915827 336.7740 28214.00 .6890090 336.9010 28753.00 .7049263 337.0280 28228.00 .6913360 337.1550 28514.00 .7002581 337.2820 27983.00 .6864680 337.4090 28080.00 .6901328 337.5360 28104.00 .6917710 337.6630 27922.00 .6876581 337.7900 28229.00 .6972049 337.9170 27890.00 .6886953 338.0440 28034.00 .6936928 338.1710 27979.00 .6931234 338.2980 27799.00 .6890340 338.4250 27821.00 .6906205 338.5520 27964.00 .6956107 338.6790 27529.00 .6843244 338.8050 27510.00 .6847426 338.9320 27581.00 .6877052 339.0590 27196.00 .6777833 339.1860 27547.00 .6886671 339.3130 27887.00 .6992651 339.4400 27349.00 .6849739 339.5670 27085.00 .6784254 339.6940 27287.00 .6851221 339.8210 27214.00 .6840025 339.9480 27372.00 .6894603 340.0750 26933.00 .6778938 340.2020 26894.00 .6777242 340.3290 27302.00 .6903386 340.4560 26789.00 .6766081 340.5830 27092.00 .6862419 340.7100 26816.00 .6792718 340.8370 26971.00 .6846724 340.9640 27050.00 .6879000 341.0910 26810.00 .6819403 341.2180 26700.00 .6797167 341.3450 26743.00 .6819039 341.4710 26432.00 .6738589 341.5980 26426.00 .6746267 341.7250 26466.00 .6767214 341.8520 26596.00 .6814351 341.9790 26320.00 .6743694 342.1060 26505.00 .6806796 342.2330 26199.00 .6727183 342.3600 26090.00 .6704805 342.4870 26329.00 .6783816 342.6140 26330.00 .6793495 342.7410 25981.00 .6700909 342.8680 26076.00 .6738008 342.9950 25955.00 .6711909 343.1220 25868.00 .6695663 343.2490 26015.00 .6748143 343.3760 25819.00 .6699849 343.5030 25313.00 .6560227 343.6300 25833.00 .6722544 343.7570 25942.00 .6763989 343.8840 26033.00 .6800206