4-NO2PhN2+ BF4-

n d, A Eh E, kJ/mol
442 min 4.4845 -969.9750 13.390

n d, A Eh E, kJ/mol
1 8.9000 -969.9408 103.037
2 8.8900 -969.9409 102.820
3 8.8800 -969.9410 102.608
4 8.8700 -969.9410 102.400
5 8.8599 -969.9411 102.196
6 8.8499 -969.9412 101.996
7 8.8399 -969.9413 101.799
8 8.8299 -969.9414 101.605
9 8.8199 -969.9414 101.413
10 8.8099 -969.9415 101.224
11 8.7999 -969.9416 101.036
12 8.7899 -969.9416 100.849
13 8.7798 -969.9417 100.662
14 8.7698 -969.9418 100.474
15 8.7598 -969.9419 100.284
16 8.7498 -969.9419 100.087
17 8.7398 -969.9420 99.894
18 8.7298 -969.9421 99.704
19 8.7198 -969.9421 99.516
20 8.7098 -969.9422 99.330
21 8.6997 -969.9423 99.146
22 8.6897 -969.9424 98.964
23 8.6797 -969.9424 98.784
24 8.6697 -969.9425 98.607
25 8.6597 -969.9426 98.431
26 8.6497 -969.9426 98.257
27 8.6397 -969.9427 98.083
28 8.6297 -969.9428 97.911
29 8.6196 -969.9428 97.737
30 8.6096 -969.9429 97.563
31 8.5996 -969.9430 97.383
32 8.5896 -969.9432 96.836
33 8.5796 -969.9433 96.602
34 8.5696 -969.9433 96.369
35 8.5596 -969.9434 96.135
36 8.5496 -969.9435 95.903
37 8.5395 -969.9436 95.671
38 8.5295 -969.9437 95.439
39 8.5195 -969.9438 95.208
40 8.5095 -969.9439 94.977
41 8.4995 -969.9440 94.747
42 8.4895 -969.9441 94.517
43 8.4795 -969.9441 94.287
44 8.4695 -969.9442 94.058
45 8.4594 -969.9443 93.829
46 8.4494 -969.9444 93.601
47 8.4394 -969.9445 93.373
48 8.4294 -969.9446 93.146
49 8.4194 -969.9447 92.920
50 8.4094 -969.9447 92.694
51 8.3994 -969.9448 92.471
52 8.3894 -969.9449 92.247
53 8.3793 -969.9450 92.025
54 8.3693 -969.9451 91.804
55 8.3593 -969.9452 91.586
56 8.3493 -969.9453 91.367
57 8.3393 -969.9453 91.150
58 8.3293 -969.9454 90.934
59 8.3193 -969.9455 90.722
60 8.3093 -969.9456 90.509
61 8.2992 -969.9457 90.297
62 8.2892 -969.9457 90.088
63 8.2792 -969.9458 89.881
64 8.2692 -969.9459 89.675
65 8.2592 -969.9460 89.471
66 8.2492 -969.9461 89.268
67 8.2392 -969.9461 89.067
68 8.2292 -969.9462 88.868
69 8.2191 -969.9463 88.669
70 8.2091 -969.9464 88.472
71 8.1991 -969.9464 88.276
72 8.1891 -969.9465 88.083
73 8.1791 -969.9466 87.891
74 8.1691 -969.9466 87.700
75 8.1591 -969.9467 87.511
76 8.1491 -969.9468 87.324
77 8.1390 -969.9469 87.138
78 8.1290 -969.9469 86.953
79 8.1190 -969.9470 86.770
80 8.1090 -969.9471 86.588
81 8.0990 -969.9471 86.407
82 8.0890 -969.9472 86.228
83 8.0790 -969.9473 86.050
84 8.0690 -969.9473 85.873
85 8.0589 -969.9474 85.697
86 8.0489 -969.9475 85.522
87 8.0389 -969.9475 85.348
88 8.0289 -969.9476 85.176
89 8.0189 -969.9477 85.004
90 8.0089 -969.9477 84.833
91 7.9989 -969.9478 84.663
92 7.9889 -969.9479 84.494
93 7.9788 -969.9479 84.326
94 7.9688 -969.9480 84.159
95 7.9588 -969.9481 83.992
96 7.9488 -969.9481 83.826
97 7.9388 -969.9482 83.661
98 7.9288 -969.9482 83.496
99 7.9188 -969.9483 83.332
100 7.9088 -969.9484 83.168
101 7.8987 -969.9484 83.005
102 7.8887 -969.9485 82.842
103 7.8787 -969.9486 82.679
104 7.8687 -969.9486 82.522
105 7.8587 -969.9487 82.360
106 7.8487 -969.9487 82.205
107 7.8387 -969.9488 81.994
108 7.8287 -969.9489 81.831
109 7.8186 -969.9489 81.670
110 7.8086 -969.9490 81.510
111 7.7986 -969.9491 81.351
112 7.7886 -969.9491 81.193
113 7.7786 -969.9492 81.035
114 7.7686 -969.9492 80.877
115 7.7586 -969.9493 80.718
116 7.7486 -969.9494 80.559
117 7.7385 -969.9494 80.399
118 7.7285 -969.9495 80.237
119 7.7185 -969.9498 79.523
120 7.7085 -969.9498 79.338
121 7.6985 -969.9499 79.153
122 7.6885 -969.9500 78.968
123 7.6785 -969.9500 78.783
124 7.6685 -969.9501 78.598
125 7.6584 -969.9502 78.412
126 7.6484 -969.9503 78.224
127 7.6384 -969.9503 78.036
128 7.6284 -969.9504 77.846
129 7.6184 -969.9505 77.550
130 7.6084 -969.9506 77.351
131 7.5984 -969.9507 77.152
132 7.5884 -969.9507 76.953
133 7.5783 -969.9508 76.754
134 7.5683 -969.9509 76.553
135 7.5583 -969.9510 76.352
136 7.5483 -969.9510 76.149
137 7.5383 -969.9511 75.945
138 7.5283 -969.9512 75.738
139 7.5183 -969.9513 75.374
140 7.5083 -969.9514 75.156
141 7.4982 -969.9515 74.939
142 7.4882 -969.9516 74.723
143 7.4782 -969.9517 74.506
144 7.4682 -969.9518 74.289
145 7.4582 -969.9518 74.072
146 7.4482 -969.9519 73.854
147 7.4382 -969.9520 73.636
148 7.4282 -969.9521 73.417
149 7.4181 -969.9522 73.198
150 7.4081 -969.9523 72.977
151 7.3981 -969.9524 72.583
152 7.3881 -969.9525 72.351
153 7.3781 -969.9526 72.120
154 7.3681 -969.9527 71.890
155 7.3581 -969.9528 71.660
156 7.3481 -969.9528 71.431
157 7.3380 -969.9529 71.202
158 7.3280 -969.9530 70.975
159 7.3180 -969.9531 70.748
160 7.3080 -969.9532 70.521
161 7.2980 -969.9533 70.296
162 7.2880 -969.9534 70.071
163 7.2780 -969.9534 69.847
164 7.2680 -969.9535 69.623
165 7.2579 -969.9536 69.400
166 7.2479 -969.9537 69.179
167 7.2379 -969.9538 68.957
168 7.2279 -969.9539 68.737
169 7.2179 -969.9540 68.460
170 7.2079 -969.9541 68.240
171 7.1979 -969.9541 68.021
172 7.1879 -969.9542 67.804
173 7.1778 -969.9543 67.588
174 7.1678 -969.9544 67.374
175 7.1578 -969.9545 67.156
176 7.1478 -969.9546 66.945
177 7.1378 -969.9546 66.733
178 7.1278 -969.9547 66.525
179 7.1178 -969.9548 66.311
180 7.1078 -969.9549 66.104
181 7.0977 -969.9550 65.901
182 7.0877 -969.9550 65.699
183 7.0777 -969.9551 65.486
184 7.0677 -969.9552 65.285
185 7.0577 -969.9553 65.088
186 7.0477 -969.9553 64.891
187 7.0377 -969.9554 64.661
188 7.0277 -969.9555 64.464
189 7.0176 -969.9556 64.270
190 7.0076 -969.9556 64.077
191 6.9976 -969.9557 63.878
192 6.9876 -969.9558 63.688
193 6.9776 -969.9559 63.501
194 6.9676 -969.9559 63.314
195 6.9576 -969.9560 63.120
196 6.9476 -969.9561 62.937
197 6.9375 -969.9561 62.757
198 6.9275 -969.9562 62.578
199 6.9175 -969.9563 62.389
200 6.9075 -969.9564 62.213
201 6.8975 -969.9564 62.041
202 6.8875 -969.9565 61.870
203 6.8775 -969.9566 61.688
204 6.8675 -969.9566 61.519
205 6.8574 -969.9567 61.355
206 6.8474 -969.9567 61.192
207 6.8374 -969.9568 61.014
208 6.8274 -969.9569 60.852
209 6.8174 -969.9569 60.695
210 6.8074 -969.9570 60.540
211 6.7974 -969.9571 60.368
212 6.7874 -969.9571 60.212
213 6.7773 -969.9572 60.062
214 6.7673 -969.9572 59.914
215 6.7573 -969.9573 59.731
216 6.7473 -969.9574 59.583
217 6.7373 -969.9574 59.438
218 6.7273 -969.9575 59.294
219 6.7173 -969.9575 59.143
220 6.7073 -969.9576 59.004
221 6.6972 -969.9576 58.868
222 6.6872 -969.9577 58.734
223 6.6772 -969.9577 58.588
224 6.6672 -969.9578 58.455
225 6.6572 -969.9578 58.327
226 6.6472 -969.9579 58.201
227 6.6372 -969.9579 58.043
228 6.6272 -969.9580 57.916
229 6.6171 -969.9580 57.792
230 6.6071 -969.9581 57.670
231 6.5971 -969.9581 57.540
232 6.5871 -969.9582 57.422
233 6.5771 -969.9582 57.307
234 6.5671 -969.9583 57.194
235 6.5571 -969.9583 57.057
236 6.5471 -969.9584 56.943
237 6.5370 -969.9584 56.833
238 6.5270 -969.9584 56.719
239 6.5170 -969.9585 56.612
240 6.5070 -969.9585 56.509
241 6.4970 -969.9586 56.372
242 6.4870 -969.9586 56.266
243 6.4770 -969.9587 56.163
244 6.4670 -969.9587 56.062
245 6.4569 -969.9587 55.952
246 6.4469 -969.9588 55.854
247 6.4369 -969.9588 55.760
248 6.4269 -969.9588 55.666
249 6.4169 -969.9589 55.533
250 6.4069 -969.9589 55.435
251 6.3969 -969.9590 55.341
252 6.3869 -969.9590 55.248
253 6.3768 -969.9590 55.147
254 6.3668 -969.9591 55.057
255 6.3568 -969.9591 54.971
256 6.3468 -969.9591 54.885
257 6.3368 -969.9592 54.703
258 6.3268 -969.9593 54.606
259 6.3168 -969.9593 54.513
260 6.3068 -969.9593 54.422
261 6.2967 -969.9594 54.315
262 6.2867 -969.9594 54.223
263 6.2767 -969.9594 54.134
264 6.2667 -969.9595 54.040
265 6.2567 -969.9595 53.953
266 6.2467 -969.9595 53.869
267 6.2367 -969.9596 53.741
268 6.2267 -969.9596 53.648
269 6.2166 -969.9597 53.559
270 6.2066 -969.9597 53.471
271 6.1966 -969.9597 53.349
272 6.1866 -969.9598 53.255
273 6.1766 -969.9598 53.163
274 6.1666 -969.9598 53.073
275 6.1566 -969.9599 52.975
276 6.1466 -969.9599 52.887
277 6.1365 -969.9599 52.801
278 6.1265 -969.9600 52.715
279 6.1165 -969.9600 52.561
280 6.1065 -969.9601 52.460
281 6.0965 -969.9601 52.362
282 6.0865 -969.9601 52.265
283 6.0765 -969.9602 52.168
284 6.0665 -969.9602 52.072
285 6.0564 -969.9603 51.913
286 6.0464 -969.9603 51.799
287 6.0364 -969.9604 51.687
288 6.0264 -969.9604 51.577
289 6.0164 -969.9604 51.468
290 6.0064 -969.9605 51.290
291 5.9964 -969.9606 51.157
292 5.9864 -969.9606 51.026
293 5.9763 -969.9607 50.896
294 5.9663 -969.9607 50.768
295 5.9563 -969.9608 50.568
296 5.9463 -969.9608 50.414
297 5.9363 -969.9609 50.263
298 5.9263 -969.9610 50.112
299 5.9163 -969.9610 49.962
300 5.9063 -969.9618 47.927
301 5.8962 -969.9619 47.597
302 5.8862 -969.9620 47.267
303 5.8762 -969.9622 46.935
304 5.8662 -969.9623 46.606
305 5.8562 -969.9624 46.278
306 5.8462 -969.9625 45.950
307 5.8362 -969.9627 45.614
308 5.8262 -969.9628 45.283
309 5.8161 -969.9629 44.954
310 5.8061 -969.9631 44.626
311 5.7961 -969.9632 44.288
312 5.7861 -969.9633 43.958
313 5.7761 -969.9634 43.629
314 5.7661 -969.9636 43.301
315 5.7561 -969.9637 42.964
316 5.7461 -969.9638 42.634
317 5.7360 -969.9639 42.306
318 5.7260 -969.9641 41.980
319 5.7160 -969.9642 41.646
320 5.7060 -969.9643 41.318
321 5.6960 -969.9644 40.993
322 5.6860 -969.9646 40.669
323 5.6760 -969.9647 40.338
324 5.6660 -969.9648 40.014
325 5.6559 -969.9649 39.692
326 5.6459 -969.9651 39.372
327 5.6359 -969.9652 39.045
328 5.6259 -969.9653 38.725
329 5.6159 -969.9654 38.407
330 5.6059 -969.9655 38.092
331 5.5959 -969.9657 37.770
332 5.5859 -969.9658 37.455
333 5.5758 -969.9659 37.143
334 5.5658 -969.9660 36.833
335 5.5558 -969.9661 36.517
336 5.5458 -969.9663 36.208
337 5.5358 -969.9664 35.902
338 5.5258 -969.9665 35.598
339 5.5158 -969.9666 35.291
340 5.5058 -969.9667 34.991
341 5.4957 -969.9668 34.687
342 5.4857 -969.9670 34.390
343 5.4757 -969.9671 34.095
344 5.4657 -969.9672 33.804
345 5.4557 -969.9673 33.509
346 5.4457 -969.9674 33.221
347 5.4357 -969.9675 32.936
348 5.4257 -969.9676 32.656
349 5.4156 -969.9677 32.372
350 5.4056 -969.9678 32.097
351 5.3956 -969.9679 31.825
352 5.3856 -969.9680 31.558
353 5.3756 -969.9681 31.294
354 5.3656 -969.9682 31.031
355 5.3556 -969.9683 30.775
356 5.3456 -969.9684 30.521
357 5.3355 -969.9685 30.272
358 5.3255 -969.9686 30.027
359 5.3155 -969.9687 29.787
360 5.3055 -969.9688 29.554
361 5.2955 -969.9689 29.323
362 5.2855 -969.9690 29.099
363 5.2755 -969.9691 28.881
364 5.2655 -969.9691 28.667
365 5.2554 -969.9692 28.460
366 5.2454 -969.9693 28.258
367 5.2354 -969.9694 28.062
368 5.2254 -969.9694 27.874
369 5.2154 -969.9695 27.693
370 5.2054 -969.9696 27.517
371 5.1954 -969.9696 27.349
372 5.1854 -969.9697 27.190
373 5.1753 -969.9698 27.036
374 5.1653 -969.9698 26.890
375 5.1553 -969.9699 26.752
376 5.1453 -969.9699 26.624
377 5.1353 -969.9700 26.504
378 5.1253 -969.9700 26.388
379 5.1153 -969.9700 26.282
380 5.1053 -969.9701 26.182
381 5.0952 -969.9701 26.092
382 5.0852 -969.9701 26.008
383 5.0752 -969.9702 25.931
384 5.0652 -969.9702 25.859
385 5.0552 -969.9706 24.816
386 5.0452 -969.9707 24.549
387 5.0352 -969.9708 24.286
388 5.0252 -969.9709 24.029
389 5.0151 -969.9710 23.772
390 5.0051 -969.9711 23.517
391 4.9951 -969.9712 23.262
392 4.9851 -969.9713 23.005
393 4.9751 -969.9715 22.372
394 4.9651 -969.9717 22.057
395 4.9551 -969.9718 21.750
396 4.9451 -969.9719 21.448
397 4.9350 -969.9720 21.150
398 4.9250 -969.9721 20.856
399 4.9150 -969.9722 20.566
400 4.9050 -969.9723 20.279
401 4.8950 -969.9724 19.995
402 4.8850 -969.9725 19.714
403 4.8750 -969.9726 19.436
404 4.8650 -969.9728 19.160
405 4.8549 -969.9729 18.888
406 4.8449 -969.9730 18.620
407 4.8349 -969.9731 18.355
408 4.8249 -969.9732 18.094
409 4.8149 -969.9733 17.838
410 4.8049 -969.9734 17.586
411 4.7949 -969.9734 17.339
412 4.7849 -969.9735 17.098
413 4.7748 -969.9736 16.862
414 4.7648 -969.9737 16.633
415 4.7548 -969.9738 16.410
416 4.7448 -969.9739 16.193
417 4.7348 -969.9740 15.983
418 4.7248 -969.9740 15.785
419 4.7148 -969.9741 15.589
420 4.7048 -969.9742 15.401
421 4.6947 -969.9743 15.221
422 4.6847 -969.9743 15.050
423 4.6747 -969.9744 14.887
424 4.6647 -969.9744 14.732
425 4.6547 -969.9745 14.585
426 4.6447 -969.9745 14.446
427 4.6347 -969.9746 14.315
428 4.6247 -969.9746 14.193
429 4.6146 -969.9747 14.080
430 4.6046 -969.9747 13.976
431 4.5946 -969.9748 13.880
432 4.5846 -969.9748 13.794
433 4.5746 -969.9748 13.718
434 4.5646 -969.9749 13.649
435 4.5546 -969.9749 13.588
436 4.5446 -969.9749 13.536
437 4.5345 -969.9749 13.494
438 4.5245 -969.9749 13.462
439 4.5145 -969.9749 13.437
440 4.5045 -969.9749 13.430
441 4.4945 -969.9749 13.394
442 4.4845 -969.9750 13.390
443 4.4745 -969.9749 13.396
444 4.4645 -969.9749 13.412
445 4.4544 -969.9749 13.438
446 4.4444 -969.9749 13.470
447 4.4344 -969.9749 13.510
448 4.4244 -969.9749 13.557
449 4.4144 -969.9749 13.612
450 4.4044 -969.9748 13.673
451 4.3944 -969.9748 13.741
452 4.3844 -969.9748 13.815
453 4.3743 -969.9774 7.009
454 4.3643 -969.9774 6.862
455 4.3543 -969.9775 6.804
456 4.3443 -969.9775 6.774
457 4.3343 -969.9775 6.709
458 4.3243 -969.9775 6.664
459 4.3143 -969.9775 6.635
460 4.3043 -969.9775 6.596
461 4.2942 -969.9775 6.577
462 4.2842 -969.9776 6.556
463 4.2742 -969.9776 6.539
464 4.2642 -969.9776 6.536
465 4.2542 -969.9776 6.527
466 4.2442 -969.9776 6.528
467 4.2342 -969.9776 6.541
468 4.2242 -969.9776 6.538
469 4.2141 -969.9776 6.550
470 4.2041 -969.9776 6.564
471 4.1941 -969.9775 6.579
472 4.1841 -969.9775 6.578
473 4.1741 -969.9775 6.604
474 4.1641 -969.9775 6.612
475 4.1541 -969.9775 6.609
476 4.1441 -969.9775 6.626
477 4.1340 -969.9775 6.649
478 4.1240 -969.9775 6.670
479 4.1140 -969.9775 6.690
480 4.1040 -969.9775 6.730
481 4.0940 -969.9775 6.759
482 4.0840 -969.9775 6.794
483 4.0740 -969.9774 6.835
484 4.0640 -969.9774 6.881
485 4.0539 -969.9774 6.934
486 4.0439 -969.9774 6.989
487 4.0339 -969.9774 7.048
488 4.0239 -969.9773 7.112
489 4.0139 -969.9773 7.180
490 4.0039 -969.9773 7.222
491 3.9939 -969.9773 7.290
492 3.9839 -969.9772 7.362
493 3.9738 -969.9772 7.433
494 3.9638 -969.9772 7.376
495 3.9538 -969.9772 7.436
496 3.9438 -969.9772 7.503
497 3.9338 -969.9772 7.576
498 3.9238 -969.9771 7.655
499 3.9138 -969.9771 7.741
500 3.9038 -969.9771 7.832
501 3.8937 -969.9770 7.929
502 3.8837 -969.9770 8.032
503 3.8737 -969.9769 8.145
504 3.8637 -969.9769 8.258
505 3.8537 -969.9769 8.377
506 3.8437 -969.9768 8.503
507 3.8337 -969.9768 8.628
508 3.8237 -969.9767 8.763
509 3.8136 -969.9767 8.904
510 3.8036 -969.9766 9.049
511 3.7936 -969.9765 9.200
512 3.7836 -969.9765 9.356
513 3.7736 -969.9764 9.514
514 3.7636 -969.9764 9.678
515 3.7536 -969.9763 9.846
516 3.7436 -969.9762 10.019
517 3.7335 -969.9762 10.193
518 3.7235 -969.9761 10.372
519 3.7135 -969.9760 10.551
520 3.7035 -969.9760 10.734
521 3.6935 -969.9760 10.554
522 3.6835 -969.9760 10.651
523 3.6735 -969.9760 10.743
524 3.6635 -969.9759 10.831
525 3.6534 -969.9759 10.906
526 3.6434 -969.9759 10.980
527 3.6334 -969.9758 11.049
528 3.6234 -969.9758 11.114
529 3.6134 -969.9758 11.172
530 3.6034 -969.9758 11.219
531 3.5934 -969.9758 11.274
532 3.5834 -969.9757 11.317
533 3.5733 -969.9757 11.355
534 3.5633 -969.9757 11.391
535 3.5533 -969.9757 11.423
536 3.5433 -969.9757 11.453
537 3.5333 -969.9757 11.479
538 3.5233 -969.9757 11.503
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