4-MeOPhN2+ TfO-

n d, A Eh E, kJ/mol
48 min 1.3712 -1416.4654 203.919
98 max 1.8724 -1416.4217 318.695
99 min 1.8825 -1416.4237 313.449
138 max 2.2734 -1416.4132 341.168
281 min 3.7070 -1416.5431 0.000

n d, A Eh E, kJ/mol
1 0.9000 -1415.9901 1451.788
2 0.9100 -1416.0234 1364.362
3 0.9201 -1416.0547 1282.239
4 0.9301 -1416.0841 1205.046
5 0.9401 -1416.1117 1132.571
6 0.9501 -1416.1377 1064.372
7 0.9602 -1416.1620 1000.455
8 0.9702 -1416.1849 940.496
9 0.9802 -1416.2063 884.283
10 0.9902 -1416.2264 831.595
11 1.0003 -1416.2452 782.247
12 1.0103 -1416.2627 736.058
13 1.0203 -1416.2792 692.848
14 1.0303 -1416.2946 652.460
15 1.0404 -1416.3090 614.734
16 1.0504 -1416.3224 579.529
17 1.0604 -1416.3349 546.701
18 1.0704 -1416.3465 516.125
19 1.0805 -1416.3574 487.669
20 1.0905 -1416.3674 461.222
21 1.1005 -1416.3768 436.660
22 1.1105 -1416.3855 413.890
23 1.1206 -1416.3935 392.791
24 1.1306 -1416.4009 373.288
25 1.1406 -1416.4078 355.267
26 1.1506 -1416.4141 338.669
27 1.1607 -1416.4199 323.415
28 1.1707 -1416.4253 309.368
29 1.1807 -1416.4301 296.538
30 1.1907 -1416.4346 284.833
31 1.2008 -1416.4387 274.147
32 1.2108 -1416.4424 264.479
33 1.2208 -1416.4457 255.752
34 1.2308 -1416.4487 247.882
35 1.2409 -1416.4514 240.855
36 1.2509 -1416.4537 234.606
37 1.2609 -1416.4558 229.087
38 1.2709 -1416.4577 224.253
39 1.2810 -1416.4593 220.021
40 1.2910 -1416.4607 216.351
41 1.3010 -1416.4619 213.248
42 1.3110 -1416.4629 210.565
43 1.3211 -1416.4637 208.427
44 1.3311 -1416.4643 206.752
45 1.3411 -1416.4648 205.464
46 1.3511 -1416.4652 204.595
47 1.3612 -1416.4654 204.101
48 1.3712 -1416.4654 203.919
49 1.3812 -1416.4654 204.074
50 1.3912 -1416.4652 204.526
51 1.4013 -1416.4649 205.252
52 1.4113 -1416.4646 206.191
53 1.4213 -1416.4641 207.387
54 1.4313 -1416.4636 208.797
55 1.4414 -1416.4630 210.403
56 1.4514 -1416.4623 212.148
57 1.4614 -1416.4616 214.072
58 1.4714 -1416.4608 216.147
59 1.4815 -1416.4599 218.333
60 1.4915 -1416.4591 220.648
61 1.5015 -1416.4581 223.062
62 1.5115 -1416.4572 225.572
63 1.5216 -1416.4562 228.159
64 1.5316 -1416.4552 230.818
65 1.5416 -1416.4541 233.535
66 1.5516 -1416.4531 236.305
67 1.5617 -1416.4520 239.115
68 1.5717 -1416.4509 241.963
69 1.5817 -1416.4498 244.835
70 1.5917 -1416.4487 247.729
71 1.6018 -1416.4476 250.636
72 1.6118 -1416.4465 253.552
73 1.6218 -1416.4454 256.469
74 1.6318 -1416.4443 259.383
75 1.6419 -1416.4432 262.288
76 1.6519 -1416.4421 265.181
77 1.6619 -1416.4410 268.056
78 1.6719 -1416.4399 270.909
79 1.6820 -1416.4388 273.736
80 1.6920 -1416.4378 276.534
81 1.7020 -1416.4367 279.299
82 1.7120 -1416.4357 282.029
83 1.7221 -1416.4347 284.719
84 1.7321 -1416.4336 287.367
85 1.7421 -1416.4327 289.972
86 1.7521 -1416.4317 292.529
87 1.7622 -1416.4307 295.037
88 1.7722 -1416.4298 297.498
89 1.7822 -1416.4289 299.898
90 1.7922 -1416.4280 302.250
91 1.8023 -1416.4271 304.538
92 1.8123 -1416.4263 306.773
93 1.8223 -1416.4254 308.937
94 1.8323 -1416.4246 311.046
95 1.8424 -1416.4239 313.072
96 1.8524 -1416.4231 315.024
97 1.8624 -1416.4224 316.910
98 1.8724 -1416.4217 318.695
99 1.8825 -1416.4237 313.449
100 1.8925 -1416.4231 315.084
101 1.9025 -1416.4225 316.670
102 1.9125 -1416.4219 318.146
103 1.9226 -1416.4214 319.597
104 1.9326 -1416.4208 320.986
105 1.9426 -1416.4203 322.319
106 1.9526 -1416.4207 321.319
107 1.9627 -1416.4202 322.629
108 1.9727 -1416.4197 323.884
109 1.9827 -1416.4193 325.080
110 1.9927 -1416.4188 326.229
111 2.0028 -1416.4184 327.296
112 2.0128 -1416.4180 328.325
113 2.0228 -1416.4177 329.308
114 2.0328 -1416.4173 330.221
115 2.0429 -1416.4170 331.100
116 2.0529 -1416.4167 331.937
117 2.0629 -1416.4164 332.706
118 2.0729 -1416.4161 333.449
119 2.0830 -1416.4158 334.153
120 2.0930 -1416.4156 334.794
121 2.1030 -1416.4153 335.411
122 2.1130 -1416.4151 335.996
123 2.1231 -1416.4149 336.522
124 2.1331 -1416.4147 337.029
125 2.1431 -1416.4145 337.508
126 2.1531 -1416.4144 337.887
127 2.1632 -1416.4142 338.283
128 2.1732 -1416.4141 338.657
129 2.1832 -1416.4140 339.008
130 2.1932 -1416.4138 339.339
131 2.2033 -1416.4137 339.610
132 2.2133 -1416.4136 339.885
133 2.2233 -1416.4135 340.143
134 2.2333 -1416.4135 340.381
135 2.2434 -1416.4134 340.601
136 2.2534 -1416.4133 340.805
137 2.2634 -1416.4132 340.995
138 2.2734 -1416.4132 341.168
139 2.2835 -1416.5189 63.596
140 2.2935 -1416.5218 55.951
141 2.3035 -1416.5225 54.175
142 2.3135 -1416.5231 52.445
143 2.3236 -1416.5238 50.761
144 2.3336 -1416.5244 49.121
145 2.3436 -1416.5250 47.525
146 2.3536 -1416.5256 45.970
147 2.3637 -1416.5262 44.458
148 2.3737 -1416.5267 42.986
149 2.3837 -1416.5273 41.554
150 2.3937 -1416.5278 40.162
151 2.4038 -1416.5283 38.809
152 2.4138 -1416.5288 37.492
153 2.4238 -1416.5293 36.214
154 2.4338 -1416.5298 34.971
155 2.4439 -1416.5302 33.764
156 2.4539 -1416.5307 32.592
157 2.4639 -1416.5311 31.453
158 2.4739 -1416.5315 30.349
159 2.4840 -1416.5319 29.277
160 2.4940 -1416.5323 28.238
161 2.5040 -1416.5327 27.230
162 2.5140 -1416.5331 26.252
163 2.5241 -1416.5335 25.305
164 2.5341 -1416.5338 24.387
165 2.5441 -1416.5341 23.497
166 2.5541 -1416.5345 22.636
167 2.5642 -1416.5348 21.802
168 2.5742 -1416.5351 20.994
169 2.5842 -1416.5354 20.213
170 2.5942 -1416.5357 19.454
171 2.6043 -1416.5360 18.721
172 2.6143 -1416.5362 18.012
173 2.6243 -1416.5365 17.326
174 2.6343 -1416.5367 16.663
175 2.6444 -1416.5370 16.022
176 2.6544 -1416.5372 15.402
177 2.6644 -1416.5375 14.802
178 2.6744 -1416.5377 14.223
179 2.6845 -1416.5379 13.662
180 2.6945 -1416.5381 13.121
181 2.7045 -1416.5383 12.597
182 2.7145 -1416.5385 12.092
183 2.7246 -1416.5387 11.603
184 2.7346 -1416.5389 11.131
185 2.7446 -1416.5390 10.674
186 2.7546 -1416.5392 10.234
187 2.7647 -1416.5394 9.808
188 2.7747 -1416.5395 9.397
189 2.7847 -1416.5397 9.001
190 2.7947 -1416.5398 8.618
191 2.8048 -1416.5400 8.249
192 2.8148 -1416.5401 7.893
193 2.8248 -1416.5402 7.550
194 2.8348 -1416.5403 7.219
195 2.8449 -1416.5405 6.900
196 2.8549 -1416.5406 6.593
197 2.8649 -1416.5407 6.298
198 2.8749 -1416.5408 6.014
199 2.8850 -1416.5409 5.740
200 2.8950 -1416.5410 5.477
201 2.9050 -1416.5411 5.225
202 2.9150 -1416.5412 4.982
203 2.9251 -1416.5413 4.749
204 2.9351 -1416.5414 4.525
205 2.9451 -1416.5415 4.310
206 2.9551 -1416.5415 4.104
207 2.9652 -1416.5416 3.907
208 2.9752 -1416.5417 3.717
209 2.9852 -1416.5417 3.536
210 2.9952 -1416.5418 3.362
211 3.0053 -1416.5419 3.195
212 3.0153 -1416.5419 3.036
213 3.0253 -1416.5420 2.883
214 3.0353 -1416.5421 2.737
215 3.0454 -1416.5421 2.597
216 3.0554 -1416.5422 2.464
217 3.0654 -1416.5422 2.336
218 3.0754 -1416.5423 2.213
219 3.0855 -1416.5423 2.097
220 3.0955 -1416.5423 1.985
221 3.1055 -1416.5424 1.878
222 3.1155 -1416.5424 1.776
223 3.1256 -1416.5425 1.678
224 3.1356 -1416.5425 1.585
225 3.1456 -1416.5425 1.496
226 3.1556 -1416.5426 1.411
227 3.1657 -1416.5426 1.330
228 3.1757 -1416.5426 1.252
229 3.1857 -1416.5426 1.177
230 3.1957 -1416.5427 1.106
231 3.2058 -1416.5427 1.038
232 3.2158 -1416.5427 0.973
233 3.2258 -1416.5427 0.911
234 3.2358 -1416.5428 0.852
235 3.2459 -1416.5428 0.795
236 3.2559 -1416.5428 0.741
237 3.2659 -1416.5428 0.689
238 3.2759 -1416.5429 0.640
239 3.2860 -1416.5429 0.593
240 3.2960 -1416.5429 0.549
241 3.3060 -1416.5429 0.507
242 3.3160 -1416.5429 0.467
243 3.3261 -1416.5429 0.429
244 3.3361 -1416.5429 0.393
245 3.3461 -1416.5430 0.360
246 3.3561 -1416.5430 0.328
247 3.3662 -1416.5430 0.298
248 3.3762 -1416.5430 0.271
249 3.3862 -1416.5430 0.245
250 3.3962 -1416.5430 0.221
251 3.4063 -1416.5430 0.198
252 3.4163 -1416.5430 0.177
253 3.4263 -1416.5430 0.158
254 3.4363 -1416.5430 0.140
255 3.4464 -1416.5430 0.124
256 3.4564 -1416.5431 0.109
257 3.4664 -1416.5431 0.096
258 3.4764 -1416.5431 0.084
259 3.4865 -1416.5431 0.073
260 3.4965 -1416.5431 0.063
261 3.5065 -1416.5431 0.054
262 3.5165 -1416.5431 0.046
263 3.5266 -1416.5431 0.039
264 3.5366 -1416.5431 0.033
265 3.5466 -1416.5431 0.028
266 3.5566 -1416.5431 0.024
267 3.5667 -1416.5431 0.020
268 3.5767 -1416.5431 0.016
269 3.5867 -1416.5431 0.014
270 3.5967 -1416.5431 0.011
271 3.6068 -1416.5431 0.009
272 3.6168 -1416.5431 0.007
273 3.6268 -1416.5431 0.006
274 3.6368 -1416.5431 0.005
275 3.6469 -1416.5431 0.004
276 3.6569 -1416.5431 0.003
277 3.6669 -1416.5431 0.002
278 3.6769 -1416.5431 0.001
279 3.6870 -1416.5431 0.001
280 3.6970 -1416.5431 0.000
281 3.7070 -1416.5431 0.000
282 3.7170 -1416.5431 0.000
283 3.7271 -1416.5431 0.000
284 3.7371 -1416.5431 0.001
285 3.7471 -1416.5431 0.002
286 3.7571 -1416.5431 0.003
287 3.7672 -1416.5431 0.004
288 3.7772 -1416.5431 0.006
289 3.7872 -1416.5431 0.008
290 3.7972 -1416.5431 0.011
291 3.8073 -1416.5431 0.014
292 3.8173 -1416.5431 0.017
293 3.8273 -1416.5431 0.020
294 3.8373 -1416.5431 0.024
295 3.8474 -1416.5431 0.028
296 3.8574 -1416.5431 0.032
297 3.8674 -1416.5431 0.036
298 3.8774 -1416.5431 0.041
299 3.8875 -1416.5431 0.045
300 3.8975 -1416.5431 0.051
301 3.9075 -1416.5431 0.056
302 3.9175 -1416.5431 0.062
303 3.9276 -1416.5431 0.068
304 3.9376 -1416.5431 0.073
305 3.9476 -1416.5431 0.079
306 3.9576 -1416.5431 0.085
307 3.9677 -1416.5431 0.090
308 3.9777 -1416.5431 0.096
309 3.9877 -1416.5431 0.102
310 3.9977 -1416.5431 0.108
311 4.0078 -1416.5431 0.112
312 4.0178 -1416.5431 0.118
313 4.0278 -1416.5430 0.124
314 4.0378 -1416.5430 0.129
315 4.0479 -1416.5430 0.133
316 4.0579 -1416.5430 0.139
317 4.0679 -1416.5430 0.144
318 4.0779 -1416.5430 0.147
319 4.0880 -1416.5430 0.153
320 4.0980 -1416.5430 0.158
321 4.1080 -1416.5430 0.160
322 4.1180 -1416.5430 0.165
323 4.1281 -1416.5430 0.170
324 4.1381 -1416.5430 0.172
325 4.1481 -1416.5430 0.176
326 4.1581 -1416.5430 0.180
327 4.1682 -1416.5430 0.182
328 4.1782 -1416.5430 0.185
329 4.1882 -1416.5430 0.187
330 4.1982 -1416.5430 0.190
331 4.2083 -1416.5430 0.192
332 4.2183 -1416.5430 0.195
333 4.2283 -1416.5430 0.196
334 4.2383 -1416.5430 0.200
335 4.2484 -1416.5430 0.201
336 4.2584 -1416.5430 0.204
337 4.2684 -1416.5430 0.205
338 4.2784 -1416.5430 0.209
339 4.2885 -1416.5430 0.210
340 4.2985 -1416.5430 0.213
341 4.3085 -1416.5430 0.214
342 4.3185 -1416.5430 0.217
343 4.3286 -1416.5430 0.219
344 4.3386 -1416.5430 0.222
345 4.3486 -1416.5430 0.223
346 4.3586 -1416.5430 0.226
347 4.3687 -1416.5430 0.227
348 4.3787 -1416.5430 0.230
349 4.3887 -1416.5430 0.231
350 4.3987 -1416.5430 0.234
351 4.4088 -1416.5430 0.235
352 4.4188 -1416.5430 0.238
353 4.4288 -1416.5430 0.239
354 4.4388 -1416.5430 0.242
355 4.4489 -1416.5430 0.242
356 4.4589 -1416.5430 0.245
357 4.4689 -1416.5430 0.246
358 4.4789 -1416.5430 0.249
359 4.4890 -1416.5430 0.250
360 4.4990 -1416.5430 0.252
361 4.5090 -1416.5430 0.252
362 4.5190 -1416.5430 0.255
363 4.5291 -1416.5430 0.255
364 4.5391 -1416.5430 0.256
365 4.5491 -1416.5430 0.256
366 4.5591 -1416.5430 0.258
367 4.5692 -1416.5430 0.258
368 4.5792 -1416.5430 0.259
369 4.5892 -1416.5430 0.259
370 4.5992 -1416.5430 0.260
371 4.6093 -1416.5430 0.259
372 4.6193 -1416.5430 0.259
373 4.6293 -1416.5430 0.258
374 4.6393 -1416.5430 0.258
375 4.6494 -1416.5430 0.257
376 4.6594 -1416.5430 0.256
377 4.6694 -1416.5430 0.254
378 4.6794 -1416.5430 0.254
379 4.6895 -1416.5430 0.251
380 4.6995 -1416.5430 0.250
381 4.7095 -1416.5430 0.247
382 4.7195 -1416.5430 0.246
383 4.7296 -1416.5430 0.243
384 4.7396 -1416.5430 0.241
385 4.7496 -1416.5430 0.238
386 4.7596 -1416.5430 0.236
387 4.7697 -1416.5430 0.233
388 4.7797 -1416.5430 0.231
389 4.7897 -1416.5430 0.228
390 4.7997 -1416.5430 0.227
391 4.8098 -1416.5430 0.224
392 4.8198 -1416.5430 0.223
393 4.8298 -1416.5430 0.220
394 4.8398 -1416.5430 0.219
395 4.8499 -1416.5430 0.216
396 4.8599 -1416.5430 0.215
397 4.8699 -1416.5430 0.212
398 4.8799 -1416.5430 0.211
399 4.8900 -1416.5430 0.208
400 4.9000 -1416.5430 0.206