4-NO2PhN2+ TsO-

n d, A Eh E, kJ/mol
399 min 4.9150 -1440.3137 20.248
476 max 4.1441 -1440.3049 43.332
570 min 3.2029 -1440.3154 16.013
689 max 2.0114 -1440.3171 11.498
736 min 1.5408 -1440.3215 0.000
784 max 1.0602 -1440.2073 299.664
785 min 1.0502 -1440.2324 233.855

n d, A Eh E, kJ/mol
1 8.9000 -1440.2701 134.753
2 8.8900 -1440.2702 134.574
3 8.8800 -1440.2703 134.408
4 8.8700 -1440.2703 134.225
5 8.8599 -1440.2704 134.051
6 8.8499 -1440.2705 133.877
7 8.8399 -1440.2705 133.703
8 8.8299 -1440.2706 133.528
9 8.8199 -1440.2707 133.354
10 8.8099 -1440.2707 133.180
11 8.7999 -1440.2708 133.005
12 8.7899 -1440.2709 132.830
13 8.7798 -1440.2709 132.655
14 8.7698 -1440.2710 132.481
15 8.7598 -1440.2711 132.303
16 8.7498 -1440.2711 132.126
17 8.7398 -1440.2747 122.678
18 8.7298 -1440.2749 122.277
19 8.7198 -1440.2750 121.897
20 8.7098 -1440.2752 121.478
21 8.6997 -1440.2753 121.080
22 8.6897 -1440.2755 120.681
23 8.6797 -1440.2756 120.282
24 8.6697 -1440.2758 119.900
25 8.6597 -1440.2759 119.487
26 8.6497 -1440.2761 119.091
27 8.6397 -1440.2762 118.692
28 8.6297 -1440.2764 118.295
29 8.6196 -1440.2765 117.898
30 8.6096 -1440.2767 117.500
31 8.5996 -1440.2768 117.104
32 8.5896 -1440.2770 116.718
33 8.5796 -1440.2771 116.315
34 8.5696 -1440.2779 114.222
35 8.5596 -1440.2781 113.862
36 8.5496 -1440.2782 113.490
37 8.5395 -1440.2784 113.128
38 8.5295 -1440.2785 112.765
39 8.5195 -1440.2786 112.402
40 8.5095 -1440.2788 112.037
41 8.4995 -1440.2789 111.674
42 8.4895 -1440.2791 111.310
43 8.4795 -1440.2792 110.948
44 8.4695 -1440.2793 110.622
45 8.4594 -1440.2795 110.236
46 8.4494 -1440.2796 109.872
47 8.4394 -1440.2797 109.504
48 8.4294 -1440.2799 109.142
49 8.4194 -1440.2800 108.783
50 8.4094 -1440.2802 108.430
51 8.3994 -1440.2803 108.079
52 8.3894 -1440.2804 107.722
53 8.3793 -1440.2806 107.363
54 8.3693 -1440.2807 107.014
55 8.3593 -1440.2808 106.667
56 8.3493 -1440.2810 106.322
57 8.3393 -1440.2811 105.975
58 8.3293 -1440.2812 105.633
59 8.3193 -1440.2813 105.289
60 8.3093 -1440.2815 104.948
61 8.2992 -1440.2816 104.612
62 8.2892 -1440.2817 104.262
63 8.2792 -1440.2819 103.920
64 8.2692 -1440.2820 103.586
65 8.2592 -1440.2821 103.254
66 8.2492 -1440.2822 102.926
67 8.2392 -1440.2824 102.602
68 8.2292 -1440.2825 102.269
69 8.2191 -1440.2826 101.939
70 8.2091 -1440.2827 101.618
71 8.1991 -1440.2829 101.296
72 8.1891 -1440.2830 100.982
73 8.1791 -1440.2831 100.660
74 8.1691 -1440.2832 100.340
75 8.1591 -1440.2834 100.028
76 8.1491 -1440.2835 99.720
77 8.1390 -1440.2836 99.419
78 8.1290 -1440.2837 99.117
79 8.1190 -1440.2838 98.814
80 8.1090 -1440.2839 98.522
81 8.0990 -1440.2840 98.227
82 8.0890 -1440.2842 97.912
83 8.0790 -1440.2843 97.607
84 8.0690 -1440.2844 97.312
85 8.0589 -1440.2845 97.022
86 8.0489 -1440.2846 96.736
87 8.0389 -1440.2847 96.432
88 8.0289 -1440.2848 96.141
89 8.0189 -1440.2849 95.856
90 8.0089 -1440.2850 95.578
91 7.9989 -1440.2852 95.301
92 7.9889 -1440.2853 95.028
93 7.9788 -1440.2854 94.736
94 7.9688 -1440.2855 94.460
95 7.9588 -1440.2856 94.190
96 7.9488 -1440.2857 93.925
97 7.9388 -1440.2858 93.663
98 7.9288 -1440.2859 93.395
99 7.9188 -1440.2860 93.134
100 7.9088 -1440.2861 92.875
101 7.8987 -1440.2862 92.626
102 7.8887 -1440.2863 92.375
103 7.8787 -1440.2864 92.110
104 7.8687 -1440.2865 91.856
105 7.8587 -1440.2866 91.614
106 7.8487 -1440.2867 91.369
107 7.8387 -1440.2867 91.125
108 7.8287 -1440.2868 90.888
109 7.8186 -1440.2869 90.640
110 7.8086 -1440.2870 90.398
111 7.7986 -1440.2871 90.166
112 7.7886 -1440.2872 89.935
113 7.7786 -1440.2873 89.703
114 7.7686 -1440.2874 89.469
115 7.7586 -1440.2875 89.236
116 7.7486 -1440.2875 89.013
117 7.7385 -1440.2876 88.789
118 7.7285 -1440.2877 88.564
119 7.7185 -1440.2878 88.346
120 7.7085 -1440.2879 88.118
121 7.6985 -1440.2880 87.894
122 7.6885 -1440.2881 87.678
123 7.6785 -1440.2881 87.464
124 7.6685 -1440.2882 87.241
125 7.6584 -1440.2883 87.022
126 7.6484 -1440.2884 86.815
127 7.6384 -1440.2885 86.601
128 7.6284 -1440.2885 86.395
129 7.6184 -1440.2886 86.190
130 7.6084 -1440.2887 85.973
131 7.5984 -1440.2888 85.762
132 7.5884 -1440.2889 85.558
133 7.5783 -1440.2889 85.355
134 7.5683 -1440.2890 85.149
135 7.5583 -1440.2891 84.951
136 7.5483 -1440.2892 84.753
137 7.5383 -1440.2892 84.543
138 7.5283 -1440.2893 84.339
139 7.5183 -1440.2894 84.141
140 7.5083 -1440.2895 83.941
141 7.4982 -1440.2896 83.745
142 7.4882 -1440.2896 83.556
143 7.4782 -1440.2897 83.360
144 7.4682 -1440.2898 83.160
145 7.4582 -1440.2899 82.963
146 7.4482 -1440.2899 82.775
147 7.4382 -1440.2900 82.582
148 7.4282 -1440.2901 82.394
149 7.4181 -1440.2901 82.206
150 7.4081 -1440.2902 82.008
151 7.3981 -1440.2903 81.822
152 7.3881 -1440.2904 81.633
153 7.3781 -1440.2904 81.438
154 7.3681 -1440.2905 81.245
155 7.3581 -1440.2906 81.057
156 7.3481 -1440.2906 80.870
157 7.3380 -1440.2907 80.686
158 7.3280 -1440.2908 80.506
159 7.3180 -1440.2909 80.324
160 7.3080 -1440.2909 80.136
161 7.2980 -1440.2910 79.958
162 7.2880 -1440.2911 79.774
163 7.2780 -1440.2911 79.585
164 7.2680 -1440.2912 79.401
165 7.2579 -1440.2913 79.226
166 7.2479 -1440.2913 79.040
167 7.2379 -1440.2919 77.619
168 7.2279 -1440.2920 77.452
169 7.2179 -1440.2920 77.289
170 7.2079 -1440.2921 77.126
171 7.1979 -1440.2921 76.964
172 7.1879 -1440.2922 76.804
173 7.1778 -1440.2923 76.645
174 7.1678 -1440.2923 76.487
175 7.1578 -1440.2924 76.330
176 7.1478 -1440.2924 76.174
177 7.1378 -1440.2925 76.024
178 7.1278 -1440.2926 75.873
179 7.1178 -1440.2926 75.717
180 7.1078 -1440.2927 75.570
181 7.0977 -1440.2927 75.423
182 7.0877 -1440.2928 75.268
183 7.0777 -1440.2928 75.125
184 7.0677 -1440.2929 74.981
185 7.0577 -1440.2930 74.819
186 7.0477 -1440.2930 74.677
187 7.0377 -1440.2931 74.538
188 7.0277 -1440.2931 74.396
189 7.0176 -1440.2932 74.253
190 7.0076 -1440.2932 74.117
191 6.9976 -1440.2933 73.977
192 6.9876 -1440.2933 73.836
193 6.9776 -1440.2934 73.703
194 6.9676 -1440.2934 73.618
195 6.9576 -1440.2935 73.439
196 6.9476 -1440.2935 73.298
197 6.9375 -1440.2936 73.169
198 6.9275 -1440.2936 73.027
199 6.9175 -1440.2937 72.898
200 6.9075 -1440.2937 72.773
201 6.8975 -1440.2938 72.646
202 6.8875 -1440.2938 72.516
203 6.8775 -1440.2939 72.394
204 6.8675 -1440.2939 72.267
205 6.8574 -1440.2940 72.149
206 6.8474 -1440.2940 72.027
207 6.8374 -1440.2941 71.911
208 6.8274 -1440.2941 71.781
209 6.8174 -1440.2942 71.644
210 6.8074 -1440.2942 71.528
211 6.7974 -1440.2943 71.410
212 6.7874 -1440.2943 71.295
213 6.7773 -1440.2943 71.248
214 6.7673 -1440.2944 71.069
215 6.7573 -1440.2944 70.947
216 6.7473 -1440.2945 70.838
217 6.7373 -1440.2945 70.722
218 6.7273 -1440.2946 70.617
219 6.7173 -1440.2946 70.508
220 6.7073 -1440.2946 70.405
221 6.6972 -1440.2947 70.286
222 6.6872 -1440.2947 70.157
223 6.6772 -1440.2948 70.055
224 6.6672 -1440.2948 69.949
225 6.6572 -1440.2948 69.849
226 6.6472 -1440.2949 69.744
227 6.6372 -1440.2949 69.647
228 6.6272 -1440.2950 69.546
229 6.6171 -1440.2950 69.453
230 6.6071 -1440.2950 69.353
231 6.5971 -1440.2951 69.262
232 6.5871 -1440.2951 69.133
233 6.5771 -1440.2952 69.039
234 6.5671 -1440.2952 68.949
235 6.5571 -1440.2952 68.857
236 6.5471 -1440.2953 68.770
237 6.5370 -1440.2953 68.687
238 6.5270 -1440.2953 68.597
239 6.5170 -1440.2954 68.515
240 6.5070 -1440.2954 68.419
241 6.4970 -1440.2954 68.339
242 6.4870 -1440.2955 68.255
243 6.4770 -1440.2955 68.178
244 6.4670 -1440.2955 68.060
245 6.4569 -1440.2956 67.981
246 6.4469 -1440.2956 67.905
247 6.4369 -1440.2956 67.828
248 6.4269 -1440.2956 67.756
249 6.4169 -1440.2957 67.679
250 6.4069 -1440.2957 67.610
251 6.3969 -1440.2957 67.531
252 6.3869 -1440.2958 67.460
253 6.3768 -1440.2958 67.394
254 6.3668 -1440.2958 67.319
255 6.3568 -1440.2958 67.251
256 6.3468 -1440.2959 67.189
257 6.3368 -1440.2959 67.123
258 6.3268 -1440.2959 67.065
259 6.3168 -1440.2959 67.001
260 6.3068 -1440.2960 66.946
261 6.2967 -1440.2960 66.828
262 6.2867 -1440.2960 66.766
263 6.2767 -1440.2960 66.709
264 6.2667 -1440.2961 66.651
265 6.2567 -1440.2961 66.598
266 6.2467 -1440.2961 66.541
267 6.2367 -1440.2961 66.491
268 6.2267 -1440.2961 66.436
269 6.2166 -1440.2962 66.389
270 6.2066 -1440.2962 66.337
271 6.1966 -1440.2962 66.292
272 6.1866 -1440.2962 66.168
273 6.1766 -1440.2963 66.119
274 6.1666 -1440.2963 66.068
275 6.1566 -1440.2963 66.022
276 6.1466 -1440.2963 65.979
277 6.1365 -1440.2963 65.931
278 6.1265 -1440.2964 65.889
279 6.1165 -1440.2964 65.838
280 6.1065 -1440.2964 65.799
281 6.0965 -1440.2964 65.765
282 6.0865 -1440.2964 65.721
283 6.0765 -1440.2964 65.686
284 6.0665 -1440.2965 65.636
285 6.0564 -1440.2965 65.603
286 6.0464 -1440.2965 65.565
287 6.0364 -1440.2965 65.534
288 6.0264 -1440.2965 65.412
289 6.0164 -1440.2965 65.378
290 6.0064 -1440.2966 65.341
291 5.9964 -1440.2966 65.309
292 5.9864 -1440.2966 65.272
293 5.9763 -1440.2966 65.242
294 5.9663 -1440.2966 65.216
295 5.9563 -1440.2966 65.183
296 5.9463 -1440.2966 65.156
297 5.9363 -1440.2966 65.121
298 5.9263 -1440.2967 65.097
299 5.9163 -1440.2967 65.069
300 5.9063 -1440.2967 65.047
301 5.8962 -1440.2967 65.020
302 5.8862 -1440.2967 64.999
303 5.8762 -1440.2968 64.779
304 5.8662 -1440.2968 64.742
305 5.8562 -1440.2968 64.708
306 5.8462 -1440.2968 64.723
307 5.8362 -1440.2968 64.636
308 5.8262 -1440.2968 64.603
309 5.8161 -1440.2969 64.571
310 5.8061 -1440.2969 64.536
311 5.7961 -1440.2969 64.505
312 5.7861 -1440.2969 64.484
313 5.7761 -1440.2969 64.443
314 5.7661 -1440.2969 64.414
315 5.7561 -1440.2969 64.376
316 5.7461 -1440.2969 64.349
317 5.7360 -1440.2970 64.319
318 5.7260 -1440.2970 64.291
319 5.7160 -1440.2970 64.260
320 5.7060 -1440.2970 64.228
321 5.6960 -1440.2970 64.202
322 5.6860 -1440.2970 64.172
323 5.6760 -1440.2970 64.147
324 5.6660 -1440.2970 64.116
325 5.6559 -1440.3046 44.120
326 5.6459 -1440.3048 43.637
327 5.6359 -1440.3050 43.150
328 5.6259 -1440.3052 42.662
329 5.6159 -1440.3054 42.133
330 5.6059 -1440.3056 41.636
331 5.5959 -1440.3058 41.141
332 5.5859 -1440.3060 40.512
333 5.5758 -1440.3062 40.012
334 5.5658 -1440.3064 39.518
335 5.5558 -1440.3066 39.025
336 5.5458 -1440.3068 38.533
337 5.5358 -1440.3070 37.957
338 5.5258 -1440.3072 37.467
339 5.5158 -1440.3074 36.984
340 5.5058 -1440.3075 36.506
341 5.4957 -1440.3077 36.008
342 5.4857 -1440.3079 35.535
343 5.4757 -1440.3081 35.072
344 5.4657 -1440.3083 34.515
345 5.4557 -1440.3085 34.054
346 5.4457 -1440.3087 33.604
347 5.4357 -1440.3088 33.159
348 5.4257 -1440.3090 32.720
349 5.4156 -1440.3092 32.262
350 5.4056 -1440.3093 31.837
351 5.3956 -1440.3095 31.422
352 5.3856 -1440.3096 31.013
353 5.3756 -1440.3098 30.502
354 5.3656 -1440.3100 30.106
355 5.3556 -1440.3101 29.720
356 5.3456 -1440.3103 29.342
357 5.3355 -1440.3104 28.974
358 5.3255 -1440.3106 28.619
359 5.3155 -1440.3107 28.174
360 5.3055 -1440.3109 27.830
361 5.2955 -1440.3110 27.495
362 5.2855 -1440.3111 27.170
363 5.2755 -1440.3112 26.857
364 5.2655 -1440.3114 26.517
365 5.2554 -1440.3115 26.222
366 5.2454 -1440.3116 25.836
367 5.2354 -1440.3117 25.553
368 5.2254 -1440.3118 25.274
369 5.2154 -1440.3119 25.001
370 5.2054 -1440.3120 24.735
371 5.1954 -1440.3121 24.477
372 5.1854 -1440.3123 24.142
373 5.1753 -1440.3123 23.904
374 5.1653 -1440.3124 23.667
375 5.1553 -1440.3125 23.440
376 5.1453 -1440.3126 23.219
377 5.1353 -1440.3127 23.010
378 5.1253 -1440.3128 22.769
379 5.1153 -1440.3129 22.579
380 5.1053 -1440.3129 22.392
381 5.0952 -1440.3130 22.209
382 5.0852 -1440.3131 22.035
383 5.0752 -1440.3131 21.868
384 5.0652 -1440.3132 21.710
385 5.0552 -1440.3132 21.558
386 5.0452 -1440.3133 21.325
387 5.0352 -1440.3134 21.195
388 5.0252 -1440.3134 21.073
389 5.0151 -1440.3135 20.959
390 5.0051 -1440.3135 20.851
391 4.9951 -1440.3135 20.751
392 4.9851 -1440.3136 20.658
393 4.9751 -1440.3136 20.572
394 4.9651 -1440.3136 20.494
395 4.9551 -1440.3137 20.321
396 4.9451 -1440.3137 20.287
397 4.9350 -1440.3137 20.264
398 4.9250 -1440.3137 20.251
399 4.9150 -1440.3137 20.248
400 4.9050 -1440.3137 20.254
401 4.8950 -1440.3137 20.271
402 4.8850 -1440.3137 20.288
403 4.8750 -1440.3137 20.323
404 4.8650 -1440.3137 20.365
405 4.8549 -1440.3137 20.415
406 4.8449 -1440.3137 20.442
407 4.8349 -1440.3136 20.518
408 4.8249 -1440.3136 20.589
409 4.8149 -1440.3136 20.671
410 4.8049 -1440.3135 20.761
411 4.7949 -1440.3135 20.858
412 4.7849 -1440.3135 20.932
413 4.7748 -1440.3134 21.065
414 4.7648 -1440.3134 21.204
415 4.7548 -1440.3133 21.351
416 4.7448 -1440.3133 21.513
417 4.7348 -1440.3132 21.687
418 4.7248 -1440.3131 21.867
419 4.7148 -1440.3130 22.078
420 4.7048 -1440.3130 22.302
421 4.6947 -1440.3129 22.543
422 4.6847 -1440.3128 22.801
423 4.6747 -1440.3127 23.080
424 4.6647 -1440.3125 23.377
425 4.6547 -1440.3124 23.695
426 4.6447 -1440.3123 24.034
427 4.6347 -1440.3122 24.392
428 4.6247 -1440.3120 24.771
429 4.6146 -1440.3119 25.171
430 4.6046 -1440.3117 25.593
431 4.5946 -1440.3115 26.037
432 4.5846 -1440.3114 26.502
433 4.5746 -1440.3112 26.988
434 4.5646 -1440.3110 27.526
435 4.5546 -1440.3108 28.015
436 4.5446 -1440.3106 28.523
437 4.5345 -1440.3104 29.055
438 4.5245 -1440.3102 29.533
439 4.5145 -1440.3100 30.021
440 4.5045 -1440.3098 30.468
441 4.4945 -1440.3097 30.910
442 4.4845 -1440.3095 31.345
443 4.4745 -1440.3093 31.784
444 4.4645 -1440.3092 32.207
445 4.4544 -1440.3090 32.628
446 4.4444 -1440.3089 33.053
447 4.4344 -1440.3087 33.442
448 4.4244 -1440.3086 33.846
449 4.4144 -1440.3084 34.250
450 4.4044 -1440.3083 34.639
451 4.3944 -1440.3081 35.040
452 4.3844 -1440.3080 35.440
453 4.3743 -1440.3078 35.838
454 4.3643 -1440.3076 36.237
455 4.3543 -1440.3075 36.623
456 4.3443 -1440.3074 37.020
457 4.3343 -1440.3072 37.414
458 4.3243 -1440.3071 37.807
459 4.3143 -1440.3069 38.156
460 4.3043 -1440.3068 38.534
461 4.2942 -1440.3066 38.903
462 4.2842 -1440.3065 39.273
463 4.2742 -1440.3064 39.637
464 4.2642 -1440.3062 39.988
465 4.2542 -1440.3061 40.335
466 4.2442 -1440.3060 40.673
467 4.2342 -1440.3058 41.002
468 4.2242 -1440.3057 41.314
469 4.2141 -1440.3056 41.626
470 4.2041 -1440.3055 41.911
471 4.1941 -1440.3054 42.197
472 4.1841 -1440.3053 42.450
473 4.1741 -1440.3052 42.694
474 4.1641 -1440.3051 42.939
475 4.1541 -1440.3050 43.140
476 4.1441 -1440.3049 43.332
477 4.1340 -1440.3122 24.310
478 4.1240 -1440.3122 24.236
479 4.1140 -1440.3122 24.167
480 4.1040 -1440.3123 24.094
481 4.0940 -1440.3123 24.025
482 4.0840 -1440.3123 23.953
483 4.0740 -1440.3124 23.883
484 4.0640 -1440.3124 23.825
485 4.0539 -1440.3124 23.744
486 4.0439 -1440.3124 23.671
487 4.0339 -1440.3125 23.601
488 4.0239 -1440.3125 23.529
489 4.0139 -1440.3125 23.458
490 4.0039 -1440.3125 23.388
491 3.9939 -1440.3126 23.314
492 3.9839 -1440.3126 23.243
493 3.9738 -1440.3126 23.170
494 3.9638 -1440.3127 23.101
495 3.9538 -1440.3127 23.023
496 3.9438 -1440.3127 22.971
497 3.9338 -1440.3127 22.881
498 3.9238 -1440.3128 22.805
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753 1.3706 -1440.3181 8.804
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757 1.3305 -1440.3151 16.743
758 1.3205 -1440.3141 19.375
759 1.3105 -1440.3130 22.314
760 1.3005 -1440.3117 25.582
761 1.2905 -1440.3103 29.208
762 1.2805 -1440.3088 33.219
763 1.2705 -1440.3071 37.646
764 1.2605 -1440.3053 42.522
765 1.2504 -1440.3032 47.874
766 1.2404 -1440.3010 53.745
767 1.2304 -1440.2985 60.172
768 1.2204 -1440.2959 67.196
769 1.2104 -1440.2929 74.852
770 1.2004 -1440.2898 83.194
771 1.1904 -1440.2863 92.257
772 1.1804 -1440.2826 102.096
773 1.1703 -1440.2785 112.759
774 1.1603 -1440.2741 124.292
775 1.1503 -1440.2694 136.755
776 1.1403 -1440.2642 150.185
777 1.1303 -1440.2587 164.646
778 1.1203 -1440.2528 180.186
779 1.1103 -1440.2465 196.870
780 1.1003 -1440.2397 214.762
781 1.0902 -1440.2324 233.921
782 1.0802 -1440.2246 254.405
783 1.0702 -1440.2162 276.286
784 1.0602 -1440.2073 299.664
785 1.0502 -1440.2324 233.855
786 1.0402 -1440.2239 256.025
787 1.0302 -1440.2147 280.375
788 1.0202 -1440.2045 307.059
789 1.0101 -1440.1934 336.236
790 1.0001 -1440.1813 368.079
791 0.9901 -1440.1680 402.768
792 0.9801 -1440.1537 440.495
793 0.9701 -1440.1381 481.464
794 0.9601 -1440.1211 525.897
795 0.9501 -1440.1028 574.024
796 0.9401 -1440.0830 626.094
797 0.9300 -1440.0615 682.373
798 0.9200 -1440.0384 743.144
799 0.9100 -1440.0134 808.707
800 0.9000 -1439.9865 879.383