********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: CH2CN * Name: Acetonitrile * Edge: N 1s * Alpha Formula: C2H3N * Data Source: Hitchcock * Filename: an-0nnkk.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- 0ann. name2- 0ann.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 390.0970 23726.90 -3.5340720E-02 390.3060 23928.10 -2.0905340E-02 390.5140 23594.70 -2.9918530E-02 390.7230 23300.20 -3.7693180E-02 390.9310 23513.90 -3.9975960E-02 391.1400 23248.90 -2.4618540E-02 391.3480 23339.00 -2.2250500E-02 391.5570 23284.80 -2.4564880E-02 391.7660 23408.00 -2.6104700E-02 391.9740 23050.70 -3.1645740E-02 392.1830 23422.00 -2.6081770E-02 392.3910 23401.00 -2.5579910E-02 392.6000 23181.20 -2.8012200E-02 392.8090 23113.30 -2.7509750E-02 393.0170 22750.90 -3.0360550E-02 393.2260 23005.50 -2.6871990E-02 393.4340 22780.80 -2.2168290E-02 393.6430 22583.00 -1.7828530E-02 393.8520 22977.40 -2.3142450E-02 394.0600 22988.40 -2.0476410E-02 394.2690 22970.90 -1.1419310E-02 394.4770 22715.20 -1.9239680E-02 394.6860 22933.60 -2.0094250E-02 394.8940 23010.10 -7.8244580E-03 395.1030 22572.00 -1.1102940E-02 395.3120 22583.00 -1.9861980E-02 395.5200 22485.40 -1.8108350E-02 395.7290 22230.50 -8.9927740E-03 395.9370 22518.90 -1.5242800E-02 396.1460 22156.90 -1.6446880E-02 396.3550 22179.70 -1.4022720E-02 396.5630 22163.70 -6.7539010E-03 396.7720 22261.50 -6.5989080E-03 396.9800 22070.80 -1.4698330E-02 397.1890 22131.20 -1.2623270E-02 397.3970 22277.20 -1.4645850E-02 397.6060 22387.20 -1.0213120E-02 397.8150 22736.20 1.3730340E-02 398.0230 23392.70 4.2550970E-02 398.2320 23948.50 7.0091550E-02 398.4400 25463.50 .1125883 398.6490 29613.20 .2709672 398.8580 37576.00 .5857995 399.0660 52831.00 1.192384 399.2750 77364.70 2.147054 399.4830 108920.0 3.389358 399.6920 134324.0 4.501447 399.9010 137183.0 4.768281 400.1090 110923.0 3.906579 400.3180 75179.30 2.492123 400.5260 49056.20 1.310817 400.7350 34905.20 .6400663 400.9440 28701.80 .3388932 401.1520 27000.10 .2475003 401.3610 26105.10 .2148444 401.5690 25672.60 .1870394 401.7780 25249.00 .1801722 401.9860 24578.40 .1557514 402.1950 23981.90 .1155700 402.4040 24329.40 .1255699 402.6120 25101.60 .1605571 402.8210 27086.00 .2505659 403.0290 27134.60 .2713887 403.2380 26169.50 .2229845 403.4470 26547.00 .2221529 403.6550 26989.80 .2663595 403.8640 27292.90 .2852487 404.0720 27725.40 .2972789 404.2810 27922.50 .3217885 404.4890 28044.80 .3232127 404.6980 28947.90 .3498297 404.9070 29180.90 .3575512 405.1150 29047.20 .3692663 405.3240 29265.80 .3822449 405.5320 29041.00 .3959343 405.7410 28547.00 .3802874 405.9500 29082.60 .3910621 406.1580 29103.50 .3959751 406.3670 29474.90 .4190095 406.5750 28871.50 .3972596 406.7840 29045.00 .3888095 406.9930 29512.10 .4344225 407.2010 29814.20 .4448700 407.4100 29325.80 .4477608 407.6180 29812.90 .4618207 407.8270 29437.80 .4559959 408.0350 29481.10 .4490074 408.2440 29562.60 .4614952 408.4530 29090.10 .4651407 408.6610 29411.90 .4617679 408.8700 29412.10 .4523444 409.0780 29601.80 .4612133 409.2870 29579.00 .4782238 409.4960 29942.40 .4951358 409.7040 30087.70 .5028945 409.9130 29910.20 .5056146 410.1210 30558.20 .5038541 410.3300 30893.50 .5447493 410.5390 30430.70 .5456754 410.7470 30193.90 .5391232 410.9560 30264.20 .5482111 411.1640 29808.50 .5132279 411.3730 29710.30 .5098754 411.5810 29676.70 .5006061 411.7900 29735.10 .5200256 411.9990 29026.90 .5118976 412.2070 29021.50 .4950800 412.4160 28931.60 .4852813 412.6240 28544.60 .4687969 412.8330 27957.30 .4499992 413.0420 27910.50 .4645600 413.2500 27508.30 .4565444 413.4590 27221.40 .4336467 413.6670 26941.60 .4248728 413.8760 27213.50 .4511734 414.0850 27107.60 .4523206 414.2930 26757.70 .4286415 414.5020 26855.60 .4363342 414.7100 26516.60 .4319052 414.9190 26705.70 .4405126 415.1270 27045.20 .4498460 415.3360 26786.70 .4271291 415.5450 27042.10 .4377609 415.7530 26893.80 .4402116 415.9620 27149.30 .4653123 416.1700 26842.80 .4499208 416.3790 26607.30 .4468882 416.5880 26825.20 .4602024 416.7960 27419.50 .4874496 417.0050 27493.00 .4997026 417.2130 26969.20 .4861313 417.4220 27421.20 .4870536 417.6310 27843.50 .5155146 417.8390 27776.90 .5297083 418.0480 27553.50 .5199512 418.2560 28058.80 .5451967 418.4650 27889.00 .5478577 418.6730 27976.40 .5512730 418.8820 27993.20 .5545053 419.0910 28500.30 .5774077 419.2990 28265.20 .5754207 419.5080 27835.10 .5694140 419.7160 27799.90 .5729240 419.9250 28058.30 .5862831 420.1340 28388.70 .6072859 420.3420 28594.10 .6157794 420.5510 28141.80 .6210834 420.7590 28323.70 .6050144 420.9680 27707.20 .5905684 421.1760 28424.70 .6125644 421.3850 28339.70 .6195488 421.5940 28568.90 .6261896 421.8020 28112.70 .6266001 422.0110 28284.60 .6313123 422.2190 28448.00 .6369997 422.4280 28219.20 .6238919 422.6370 28578.80 .6540578 422.8450 28299.80 .6489617 423.0540 28005.30 .6325231 423.2620 27970.40 .6468720 423.4710 27786.90 .6144732 423.6800 27922.40 .6324556 423.8880 27662.90 .6321072 424.0970 27330.00 .6177934 424.3050 27959.50 .6384371 424.5140 27378.70 .6275502 424.7230 27471.00 .6291759 424.9310 27644.70 .6549099 425.1400 27027.80 .6415274 425.3480 27048.00 .6180804 425.5570 26931.00 .6169745 425.7650 26638.20 .6115425 425.9740 26437.90 .6053520 426.1830 26059.90 .5785710 426.3910 26079.70 .5702127 426.6000 25881.00 .5467205 426.8080 25748.20 .5587235 427.0170 25871.00 .5798983 427.2260 25690.40 .5791456 427.4340 25495.20 .5746602 427.6430 25410.30 .5624552 427.8510 25512.00 .5667791 428.0600 25090.70 .5592797 428.2680 25600.70 .5770870 428.4770 25104.10 .5632893 428.6860 24885.80 .5624295 428.8940 25303.40 .5896738 429.1030 25523.80 .6064066 429.3110 24447.40 .5568364 429.5200 24892.60 .5630729 429.7290 24695.30 .5653015 429.9370 24465.70 .5359805 430.1460 24161.60 .5416330 430.3540 23982.00 .5309260 430.5630 24527.60 .5653081 430.7720 24288.80 .5758576 430.9800 24000.70 .5564719 431.1890 23901.80 .5442643 431.3970 23811.10 .5339678 431.6060 23632.20 .5185885 431.8140 23509.30 .5296614 432.0230 23445.60 .5087125 432.2320 23673.10 .5178215 432.4400 23669.50 .5442994 432.6490 23607.40 .5524929 432.8570 23364.80 .5425174 433.0660 23057.30 .5226867 433.2750 22980.50 .5397210 433.4830 22999.20 .5296019 433.6920 22899.70 .5361665 433.9000 22796.60 .5358155 434.1090 22741.50 .5148033 434.3180 22652.00 .5129849 434.5260 22408.60 .5210543 434.7350 22799.80 .5220590 434.9430 21847.40 .4944657 435.1520 22446.50 .5065095 435.3600 21948.40 .4934966 435.5690 22047.00 .4868080 435.7780 21980.10 .4834856 435.9860 22221.80 .5249536 436.1950 22217.70 .5355407 436.4030 21995.60 .5274916 436.6120 22499.00 .5471396 436.8210 22125.70 .5540009 437.0290 21412.50 .4913239 437.2380 21432.30 .4801997 437.4460 21446.90 .4938917 437.6550 21670.00 .5150213 437.8630 21432.60 .5129612 438.0720 21846.50 .5361599 438.2810 21559.10 .5358468 438.4890 21206.20 .5018600 438.6980 21376.80 .5133980 438.9060 21402.60 .5136883 439.1150 21060.30 .5073320 439.3240 21059.80 .5269190 439.5320 21141.10 .5160887 439.7410 21003.30 .5106106 439.9490 20781.70 .4956049 440.1580 21123.90 .5264313 440.3670 20706.20 .5044420 440.5750 20832.80 .4871616 440.7840 20538.00 .4833669 440.9920 20526.50 .4837868 441.2010 20850.70 .5145283 441.4100 20411.20 .5077623 441.6180 20258.60 .4798358 441.8270 20155.50 .4684888 442.0350 20413.80 .4976159 442.2440 20303.50 .4718919 442.4530 20318.30 .4138080