4-MeOPhN2+ TsO-

n d, A Eh E, kJ/mol
43 min 1.3211 -1350.4764 39.007
54 max 1.4313 -1350.4692 58.076
55 min 1.4414 -1350.4913 0.000
97 max 1.8624 -1350.4534 99.405
98 min 1.8724 -1350.4558 93.216
136 max 2.2534 -1350.4427 127.724
258 min 3.4764 -1350.4611 79.307

n d, A Eh E, kJ/mol
1 0.9000 -1350.0394 1186.356
2 0.9100 -1350.0716 1102.033
3 0.9201 -1350.1017 1022.905
4 0.9301 -1350.1300 948.644
5 0.9401 -1350.1565 879.007
6 0.9501 -1350.1814 813.749
7 0.9602 -1350.2046 752.622
8 0.9702 -1350.2264 695.402
9 0.9802 -1350.2468 641.861
10 0.9902 -1350.2659 591.809
11 1.0003 -1350.2837 545.051
12 1.0103 -1350.3003 501.403
13 1.0203 -1350.3158 460.700
14 1.0303 -1350.3303 422.771
15 1.0404 -1350.3437 387.467
16 1.0504 -1350.3562 354.640
17 1.0604 -1350.3678 324.167
18 1.0704 -1350.3786 295.902
19 1.0805 -1350.3886 269.734
20 1.0905 -1350.3978 245.535
21 1.1005 -1350.4063 223.208
22 1.1105 -1350.4141 202.636
23 1.1206 -1350.4213 183.727
24 1.1306 -1350.4279 166.380
25 1.1406 -1350.4340 150.515
26 1.1506 -1350.4395 136.037
27 1.1607 -1350.4445 122.873
28 1.1707 -1350.4490 110.943
29 1.1807 -1350.4531 100.178
30 1.1907 -1350.4568 90.505
31 1.2008 -1350.4601 81.865
32 1.2108 -1350.4630 74.191
33 1.2208 -1350.4656 67.431
34 1.2308 -1350.4679 61.380
35 1.2409 -1350.4699 56.300
36 1.2509 -1350.4715 51.959
37 1.2609 -1350.4729 48.328
38 1.2709 -1350.4740 45.360
39 1.2810 -1350.4749 43.007
40 1.2910 -1350.4756 41.237
41 1.3010 -1350.4761 40.002
42 1.3110 -1350.4763 39.275
43 1.3211 -1350.4764 39.007
44 1.3311 -1350.4764 39.180
45 1.3411 -1350.4762 39.752
46 1.3511 -1350.4758 40.694
47 1.3612 -1350.4753 41.971
48 1.3712 -1350.4747 43.565
49 1.3812 -1350.4740 45.436
50 1.3912 -1350.4732 47.566
51 1.4013 -1350.4723 49.981
52 1.4113 -1350.4713 52.526
53 1.4213 -1350.4703 55.212
54 1.4313 -1350.4692 58.076
55 1.4414 -1350.4913 0.000
56 1.4514 -1350.4907 1.529
57 1.4614 -1350.4901 3.234
58 1.4714 -1350.4894 5.085
59 1.4815 -1350.4886 7.080
60 1.4915 -1350.4880 8.726
61 1.5015 -1350.4872 10.889
62 1.5115 -1350.4863 13.160
63 1.5216 -1350.4855 15.201
64 1.5316 -1350.4846 17.580
65 1.5416 -1350.4837 20.028
66 1.5516 -1350.4827 22.530
67 1.5617 -1350.4817 25.094
68 1.5717 -1350.4808 27.685
69 1.5817 -1350.4798 30.277
70 1.5917 -1350.4788 32.936
71 1.6018 -1350.4777 35.619
72 1.6118 -1350.4767 38.320
73 1.6218 -1350.4757 41.032
74 1.6318 -1350.4746 43.752
75 1.6419 -1350.4736 46.472
76 1.6519 -1350.4726 49.189
77 1.6619 -1350.4715 51.902
78 1.6719 -1350.4705 54.604
79 1.6820 -1350.4695 57.286
80 1.6920 -1350.4685 59.954
81 1.7020 -1350.4675 62.597
82 1.7120 -1350.4665 65.211
83 1.7221 -1350.4655 67.792
84 1.7321 -1350.4645 70.339
85 1.7421 -1350.4636 72.851
86 1.7521 -1350.4626 75.308
87 1.7622 -1350.4617 77.749
88 1.7722 -1350.4608 80.133
89 1.7822 -1350.4599 82.476
90 1.7922 -1350.4590 84.761
91 1.8023 -1350.4582 87.019
92 1.8123 -1350.4573 89.229
93 1.8223 -1350.4565 91.347
94 1.8323 -1350.4557 93.455
95 1.8424 -1350.4549 95.472
96 1.8524 -1350.4542 97.468
97 1.8624 -1350.4534 99.405
98 1.8724 -1350.4558 93.216
99 1.8825 -1350.4551 95.000
100 1.8925 -1350.4544 96.775
101 1.9025 -1350.4538 98.485
102 1.9125 -1350.4531 100.182
103 1.9226 -1350.4525 101.793
104 1.9326 -1350.4519 103.335
105 1.9426 -1350.4514 104.877
106 1.9526 -1350.4508 106.343
107 1.9627 -1350.4502 107.790
108 1.9727 -1350.4497 109.131
109 1.9827 -1350.4492 110.480
110 1.9927 -1350.4487 111.723
111 2.0028 -1350.4483 112.963
112 2.0128 -1350.4479 114.074
113 2.0228 -1350.4474 115.211
114 2.0328 -1350.4470 116.268
115 2.0429 -1350.4467 117.191
116 2.0529 -1350.4463 118.181
117 2.0629 -1350.4460 118.965
118 2.0729 -1350.4457 119.811
119 2.0830 -1350.4454 120.640
120 2.0930 -1350.4451 121.382
121 2.1030 -1350.4448 122.097
122 2.1130 -1350.4448 122.160
123 2.1231 -1350.4445 122.767
124 2.1331 -1350.4443 123.349
125 2.1431 -1350.4441 123.881
126 2.1531 -1350.4439 124.391
127 2.1632 -1350.4437 124.859
128 2.1732 -1350.4436 125.296
129 2.1832 -1350.4434 125.715
130 2.1932 -1350.4433 126.089
131 2.2033 -1350.4431 126.447
132 2.2133 -1350.4430 126.758
133 2.2233 -1350.4429 127.072
134 2.2333 -1350.4428 127.316
135 2.2434 -1350.4427 127.536
136 2.2534 -1350.4427 127.724
137 2.2634 -1350.4527 101.307
138 2.2734 -1350.4529 100.732
139 2.2835 -1350.4532 100.149
140 2.2935 -1350.4534 99.578
141 2.3035 -1350.4536 99.018
142 2.3135 -1350.4538 98.467
143 2.3236 -1350.4540 97.927
144 2.3336 -1350.4542 97.396
145 2.3436 -1350.4544 96.876
146 2.3536 -1350.4546 96.368
147 2.3637 -1350.4548 95.871
148 2.3737 -1350.4550 95.383
149 2.3837 -1350.4552 94.908
150 2.3937 -1350.4553 94.442
151 2.4038 -1350.4555 93.985
152 2.4138 -1350.4557 93.535
153 2.4238 -1350.4558 93.099
154 2.4338 -1350.4560 92.674
155 2.4439 -1350.4562 92.259
156 2.4539 -1350.4563 91.853
157 2.4639 -1350.4565 91.461
158 2.4739 -1350.4566 91.075
159 2.4840 -1350.4568 90.698
160 2.4940 -1350.4569 90.333
161 2.5040 -1350.4570 89.976
162 2.5140 -1350.4572 89.627
163 2.5241 -1350.4573 89.299
164 2.5341 -1350.4574 88.961
165 2.5441 -1350.4575 88.640
166 2.5541 -1350.4577 88.327
167 2.5642 -1350.4578 88.022
168 2.5742 -1350.4579 87.725
169 2.5842 -1350.4580 87.436
170 2.5942 -1350.4581 87.152
171 2.6043 -1350.4582 86.879
172 2.6143 -1350.4583 86.612
173 2.6243 -1350.4584 86.352
174 2.6343 -1350.4585 86.101
175 2.6444 -1350.4586 85.856
176 2.6544 -1350.4587 85.617
177 2.6644 -1350.4588 85.386
178 2.6744 -1350.4589 85.161
179 2.6845 -1350.4589 84.943
180 2.6945 -1350.4590 84.734
181 2.7045 -1350.4591 84.499
182 2.7145 -1350.4592 84.302
183 2.7246 -1350.4593 84.112
184 2.7346 -1350.4593 83.928
185 2.7446 -1350.4594 83.749
186 2.7546 -1350.4595 83.574
187 2.7647 -1350.4595 83.405
188 2.7747 -1350.4596 83.241
189 2.7847 -1350.4597 83.071
190 2.7947 -1350.4597 82.918
191 2.8048 -1350.4598 82.764
192 2.8148 -1350.4598 82.619
193 2.8248 -1350.4599 82.482
194 2.8348 -1350.4599 82.345
195 2.8449 -1350.4600 82.212
196 2.8549 -1350.4600 82.087
197 2.8649 -1350.4601 81.962
198 2.8749 -1350.4601 81.844
199 2.8850 -1350.4602 81.721
200 2.8950 -1350.4602 81.604
201 2.9050 -1350.4603 81.496
202 2.9150 -1350.4603 81.391
203 2.9251 -1350.4603 81.291
204 2.9351 -1350.4604 81.195
205 2.9451 -1350.4604 81.098
206 2.9551 -1350.4604 81.008
207 2.9652 -1350.4605 80.923
208 2.9752 -1350.4605 80.841
209 2.9852 -1350.4605 80.756
210 2.9952 -1350.4606 80.678
211 3.0053 -1350.4606 80.603
212 3.0153 -1350.4606 80.532
213 3.0253 -1350.4607 80.463
214 3.0353 -1350.4607 80.397
215 3.0454 -1350.4607 80.335
216 3.0554 -1350.4607 80.275
217 3.0654 -1350.4607 80.216
218 3.0754 -1350.4608 80.160
219 3.0855 -1350.4608 80.108
220 3.0955 -1350.4608 80.058
221 3.1055 -1350.4608 80.010
222 3.1155 -1350.4608 79.963
223 3.1256 -1350.4609 79.920
224 3.1356 -1350.4609 79.878
225 3.1456 -1350.4609 79.838
226 3.1556 -1350.4609 79.801
227 3.1657 -1350.4609 79.765
228 3.1757 -1350.4609 79.732
229 3.1857 -1350.4609 79.700
230 3.1957 -1350.4610 79.670
231 3.2058 -1350.4610 79.645
232 3.2158 -1350.4610 79.622
233 3.2258 -1350.4610 79.601
234 3.2358 -1350.4610 79.580
235 3.2459 -1350.4610 79.559
236 3.2559 -1350.4610 79.527
237 3.2659 -1350.4610 79.509
238 3.2759 -1350.4610 79.491
239 3.2860 -1350.4610 79.475
240 3.2960 -1350.4610 79.461
241 3.3060 -1350.4610 79.444
242 3.3160 -1350.4610 79.429
243 3.3261 -1350.4611 79.418
244 3.3361 -1350.4611 79.405
245 3.3461 -1350.4611 79.394
246 3.3561 -1350.4611 79.385
247 3.3662 -1350.4611 79.375
248 3.3762 -1350.4611 79.367
249 3.3862 -1350.4611 79.362
250 3.3962 -1350.4611 79.355
251 3.4063 -1350.4611 79.346
252 3.4163 -1350.4611 79.340
253 3.4263 -1350.4611 79.333
254 3.4363 -1350.4611 79.326
255 3.4464 -1350.4611 79.321
256 3.4564 -1350.4611 79.316
257 3.4664 -1350.4611 79.310
258 3.4764 -1350.4611 79.307
259 3.4865 -1350.4611 79.308
260 3.4965 -1350.4611 79.308
261 3.5065 -1350.4611 79.307
262 3.5165 -1350.4611 79.303
263 3.5266 -1350.4611 79.304
264 3.5366 -1350.4611 79.309
265 3.5466 -1350.4611 79.312
266 3.5566 -1350.4611 79.316
267 3.5667 -1350.4611 79.322
268 3.5767 -1350.4611 79.324
269 3.5867 -1350.4611 79.328
270 3.5967 -1350.4611 79.332
271 3.6068 -1350.4611 79.337
272 3.6168 -1350.4611 79.331
273 3.6268 -1350.4611 79.334
274 3.6368 -1350.4611 79.337
275 3.6469 -1350.4611 79.336
276 3.6569 -1350.4612 79.129
277 3.6669 -1350.4612 79.126
278 3.6769 -1350.4612 79.126
279 3.6870 -1350.4612 79.126
280 3.6970 -1350.4612 79.129
281 3.7070 -1350.4612 79.131
282 3.7170 -1350.4612 79.135
283 3.7271 -1350.4612 79.140
284 3.7371 -1350.4612 79.145
285 3.7471 -1350.4612 79.149
286 3.7571 -1350.4611 79.176
287 3.7672 -1350.4611 79.179
288 3.7772 -1350.4611 79.180
289 3.7872 -1350.4611 79.184
290 3.7972 -1350.4611 79.185
291 3.8073 -1350.4611 79.188
292 3.8173 -1350.4611 79.192
293 3.8273 -1350.4611 79.196
294 3.8373 -1350.4611 79.200
295 3.8474 -1350.4611 79.205
296 3.8574 -1350.4611 79.211
297 3.8674 -1350.4611 79.216
298 3.8774 -1350.4611 79.221
299 3.8875 -1350.4611 79.225
300 3.8975 -1350.4611 79.231
301 3.9075 -1350.4611 79.236
302 3.9175 -1350.4611 79.242
303 3.9276 -1350.4615 78.198
304 3.9376 -1350.4615 78.128
305 3.9476 -1350.4616 78.080
306 3.9576 -1350.4616 78.038
307 3.9677 -1350.4616 77.998
308 3.9777 -1350.4616 77.957
309 3.9877 -1350.4616 77.920
310 3.9977 -1350.4616 77.907
311 4.0078 -1350.4616 77.863
312 4.0178 -1350.4617 77.822
313 4.0278 -1350.4617 77.780
314 4.0378 -1350.4617 77.741
315 4.0479 -1350.4617 77.703
316 4.0579 -1350.4617 77.665
317 4.0679 -1350.4617 77.630
318 4.0779 -1350.4618 77.555
319 4.0880 -1350.4618 77.513
320 4.0980 -1350.4618 77.473
321 4.1080 -1350.4618 77.433
322 4.1180 -1350.4618 77.395
323 4.1281 -1350.4618 77.358
324 4.1381 -1350.4618 77.321
325 4.1481 -1350.4619 77.248
326 4.1581 -1350.4619 77.210
327 4.1682 -1350.4619 77.172
328 4.1782 -1350.4619 77.139
329 4.1882 -1350.4619 77.105
330 4.1982 -1350.4619 77.070
331 4.2083 -1350.4620 77.037
332 4.2183 -1350.4620 76.957
333 4.2283 -1350.4620 76.913
334 4.2383 -1350.4620 76.875
335 4.2484 -1350.4620 76.835
336 4.2584 -1350.4620 76.800
337 4.2684 -1350.4621 76.768
338 4.2784 -1350.4621 76.735
339 4.2885 -1350.4621 76.705
340 4.2985 -1350.4621 76.673
341 4.3085 -1350.4621 76.640
342 4.3185 -1350.4621 76.562
343 4.3286 -1350.4621 76.533
344 4.3386 -1350.4622 76.501
345 4.3486 -1350.4622 76.472
346 4.3586 -1350.4622 76.444
347 4.3687 -1350.4622 76.362
348 4.3787 -1350.4622 76.333
349 4.3887 -1350.4622 76.301
350 4.3987 -1350.4623 76.268
351 4.4088 -1350.4623 76.237
352 4.4188 -1350.4623 76.206
353 4.4288 -1350.4623 76.179
354 4.4388 -1350.4623 76.144
355 4.4489 -1350.4623 76.116
356 4.4589 -1350.4623 76.089
357 4.4689 -1350.4624 75.950
358 4.4789 -1350.4624 75.919
359 4.4890 -1350.4624 75.891
360 4.4990 -1350.4624 75.862
361 4.5090 -1350.4624 75.832
362 4.5190 -1350.4624 75.800
363 4.5291 -1350.4624 75.771
364 4.5391 -1350.4625 75.742
365 4.5491 -1350.4625 75.713
366 4.5591 -1350.4626 75.273
367 4.5692 -1350.4628 74.808
368 4.5792 -1350.4628 74.759
369 4.5892 -1350.4628 74.715
370 4.5992 -1350.4629 74.672
371 4.6093 -1350.4629 74.634
372 4.6193 -1350.4629 74.597
373 4.6293 -1350.4629 74.558
374 4.6393 -1350.4629 74.527
375 4.6494 -1350.4629 74.494
376 4.6594 -1350.4629 74.461
377 4.6694 -1350.4629 74.433
378 4.6794 -1350.4630 74.404
379 4.6895 -1350.4630 74.378
380 4.6995 -1350.4630 74.353
381 4.7095 -1350.4630 74.327
382 4.7195 -1350.4630 74.306
383 4.7296 -1350.4630 74.283
384 4.7396 -1350.4630 74.172
385 4.7496 -1350.4631 74.137
386 4.7596 -1350.4631 74.106
387 4.7697 -1350.4631 74.078
388 4.7797 -1350.4631 74.052
389 4.7897 -1350.4631 74.028
390 4.7997 -1350.4631 74.004
391 4.8098 -1350.4631 73.983
392 4.8198 -1350.4631 73.964
393 4.8298 -1350.4631 73.946
394 4.8398 -1350.4631 73.929
395 4.8499 -1350.4631 73.914
396 4.8599 -1350.4632 73.900
397 4.8699 -1350.4632 73.887
398 4.8799 -1350.4632 73.875
399 4.8900 -1350.4632 73.865
400 4.9000 -1350.4632 73.856