4-MeOPhN2+ TsO-

n d, A Eh E, kJ/mol
38 min 1.0852 -1350.3609 0.000

n d, A Eh E, kJ/mol
1 0.9000 -1350.3287 84.570
2 0.9050 -1350.3308 79.152
3 0.9100 -1350.3328 73.968
4 0.9150 -1350.3347 69.012
5 0.9200 -1350.3365 64.277
6 0.9250 -1350.3382 59.758
7 0.9300 -1350.3398 55.449
8 0.9350 -1350.3414 51.343
9 0.9401 -1350.3429 47.436
10 0.9451 -1350.3443 43.721
11 0.9501 -1350.3456 40.196
12 0.9551 -1350.3469 36.851
13 0.9601 -1350.3481 33.684
14 0.9651 -1350.3493 30.691
15 0.9701 -1350.3503 27.865
16 0.9751 -1350.3513 25.202
17 0.9801 -1350.3523 22.699
18 0.9851 -1350.3532 20.350
19 0.9901 -1350.3540 18.151
20 0.9951 -1350.3548 16.099
21 1.0001 -1350.3555 14.188
22 1.0051 -1350.3562 12.417
23 1.0101 -1350.3568 10.779
24 1.0151 -1350.3574 9.271
25 1.0202 -1350.3579 7.890
26 1.0252 -1350.3584 6.633
27 1.0302 -1350.3588 5.496
28 1.0352 -1350.3592 4.475
29 1.0402 -1350.3596 3.568
30 1.0452 -1350.3599 2.771
31 1.0502 -1350.3601 2.080
32 1.0552 -1350.3604 1.494
33 1.0602 -1350.3606 1.010
34 1.0652 -1350.3607 0.623
35 1.0702 -1350.3608 0.331
36 1.0752 -1350.3609 0.131
37 1.0802 -1350.3609 0.022
38 1.0852 -1350.3609 0.000
39 1.0902 -1350.3609 0.063
40 1.0952 -1350.3609 0.208
41 1.1003 -1350.3608 0.433
42 1.1053 -1350.3607 0.727
43 1.1103 -1350.3605 1.103
44 1.1153 -1350.3604 1.553
45 1.1203 -1350.3602 2.073
46 1.1253 -1350.3599 2.662
47 1.1303 -1350.3597 3.317
48 1.1353 -1350.3594 4.038
49 1.1403 -1350.3593 4.225
50 1.1453 -1350.3591 4.946
51 1.1503 -1350.3588 5.721
52 1.1553 -1350.3585 6.530
53 1.1603 -1350.3581 7.399
54 1.1653 -1350.3578 8.302
55 1.1703 -1350.3574 9.256
56 1.1753 -1350.3570 10.254
57 1.1804 -1350.3566 11.279
58 1.1854 -1350.3562 12.352
59 1.1904 -1350.3558 13.450
60 1.1954 -1350.3554 14.588
61 1.2004 -1350.3549 15.754
62 1.2054 -1350.3545 16.954
63 1.2104 -1350.3540 18.176
64 1.2154 -1350.3535 19.429
65 1.2204 -1350.3531 20.698
66 1.2254 -1350.3526 21.995
67 1.2304 -1350.3521 23.302
68 1.2354 -1350.3516 24.634
69 1.2404 -1350.3510 25.971
70 1.2454 -1350.3505 27.330
71 1.2504 -1350.3500 28.688
72 1.2554 -1350.3495 30.066
73 1.2605 -1350.3490 31.439
74 1.2655 -1350.3484 32.827
75 1.2705 -1350.3479 34.220
76 1.2755 -1350.3474 35.594
77 1.2805 -1350.3469 36.985
78 1.2855 -1350.3463 38.360
79 1.2905 -1350.3458 39.741
80 1.2955 -1350.3453 41.098
81 1.3005 -1350.3448 42.451
82 1.3055 -1350.3443 43.798
83 1.3105 -1350.3438 45.118
84 1.3155 -1350.3433 46.422
85 1.3205 -1350.3428 47.709
86 1.3255 -1350.3423 48.955
87 1.3305 -1350.3418 50.173
88 1.3355 -1350.3414 51.380
89 1.3406 -1350.3409 52.523
90 1.3456 -1350.3405 53.673
91 1.3506 -1350.3401 54.749
92 1.3556 -1350.3397 55.827
93 1.3606 -1350.3393 56.878
94 1.3656 -1350.3389 57.893
95 1.3706 -1350.3385 58.904
96 1.3756 -1350.3381 59.843
97 1.3806 -1350.3378 60.784
98 1.3856 -1350.3374 61.693
99 1.3906 -1350.3373 61.980
100 1.3956 -1350.3370 62.825
101 1.4006 -1350.3367 63.646
102 1.4056 -1350.3364 64.438
103 1.4106 -1350.3361 65.209
104 1.4156 -1350.3358 65.948
105 1.4207 -1350.3355 66.673
106 1.4257 -1350.3353 67.368
107 1.4307 -1350.3350 68.050
108 1.4357 -1350.3348 68.706
109 1.4407 -1350.3345 69.349
110 1.4457 -1350.3343 69.969
111 1.4507 -1350.3341 70.577
112 1.4557 -1350.3338 71.165
113 1.4607 -1350.3336 71.739
114 1.4657 -1350.3334 72.298
115 1.4707 -1350.3332 72.842
116 1.4757 -1350.3330 73.371
117 1.4807 -1350.3328 73.886
118 1.4857 -1350.3326 74.389
119 1.4907 -1350.3324 74.879
120 1.4957 -1350.3322 75.358
121 1.5008 -1350.3321 75.824
122 1.5058 -1350.3319 76.281
123 1.5108 -1350.3317 76.726
124 1.5158 -1350.3316 77.163
125 1.5208 -1350.3314 77.589
126 1.5258 -1350.3312 78.007
127 1.5308 -1350.3311 78.416
128 1.5358 -1350.3309 78.817
129 1.5408 -1350.3308 79.210
130 1.5458 -1350.3306 79.597
131 1.5508 -1350.3305 79.976
132 1.5558 -1350.3303 80.348
133 1.5608 -1350.3302 80.715
134 1.5658 -1350.3301 81.077
135 1.5708 -1350.3299 81.433
136 1.5758 -1350.3298 81.783
137 1.5809 -1350.3297 82.128
138 1.5859 -1350.3295 82.469
139 1.5909 -1350.3294 82.806
140 1.5959 -1350.3293 83.139
141 1.6009 -1350.3292 83.468
142 1.6059 -1350.3290 83.794
143 1.6109 -1350.3289 84.116
144 1.6159 -1350.3288 84.436
145 1.6209 -1350.3287 84.752
146 1.6259 -1350.3285 85.068
147 1.6309 -1350.3284 85.379
148 1.6359 -1350.3283 85.694
149 1.6409 -1350.3282 85.998
150 1.6459 -1350.3281 86.306
151 1.6509 -1350.3280 86.606
152 1.6559 -1350.3278 86.908
153 1.6610 -1350.3277 87.208
154 1.6660 -1350.3276 87.504
155 1.6710 -1350.3275 87.798
156 1.6760 -1350.3274 88.089
157 1.6810 -1350.3273 88.380
158 1.6860 -1350.3272 88.669
159 1.6910 -1350.3271 88.957
160 1.6960 -1350.3270 89.245
161 1.7010 -1350.3268 89.531
162 1.7060 -1350.3267 89.817
163 1.7110 -1350.3266 90.103
164 1.7160 -1350.3265 90.389
165 1.7210 -1350.3264 90.674
166 1.7260 -1350.3263 90.959
167 1.7310 -1350.3262 91.245
168 1.7360 -1350.3261 91.530
169 1.7411 -1350.3260 91.816
170 1.7461 -1350.3259 92.102
171 1.7511 -1350.3258 92.388
172 1.7561 -1350.3256 92.674
173 1.7611 -1350.3255 92.961
174 1.7661 -1350.3254 93.248
175 1.7711 -1350.3253 93.536
176 1.7761 -1350.3252 93.824
177 1.7811 -1350.3251 94.113
178 1.7861 -1350.3250 94.402
179 1.7911 -1350.3249 94.692
180 1.7961 -1350.3248 94.983
181 1.8011 -1350.3247 95.274
182 1.8061 -1350.3245 95.566
183 1.8111 -1350.3244 95.859
184 1.8161 -1350.3243 96.152
185 1.8212 -1350.3242 96.446
186 1.8262 -1350.3241 96.741
187 1.8312 -1350.3240 97.037
188 1.8362 -1350.3239 97.333
189 1.8412 -1350.3238 97.631
190 1.8462 -1350.3236 97.929
191 1.8512 -1350.3235 98.228
192 1.8562 -1350.3234 98.527
193 1.8612 -1350.3233 98.828
194 1.8662 -1350.3232 99.129
195 1.8712 -1350.3231 99.431
196 1.8762 -1350.3230 99.734
197 1.8812 -1350.3228 100.038
198 1.8862 -1350.3227 100.342
199 1.8912 -1350.3226 100.648
200 1.8962 -1350.3225 100.954
201 1.9013 -1350.3224 101.261
202 1.9063 -1350.3223 101.568
203 1.9113 -1350.3221 101.877
204 1.9163 -1350.3220 102.186
205 1.9213 -1350.3219 102.496
206 1.9263 -1350.3218 102.806
207 1.9313 -1350.3217 103.117
208 1.9363 -1350.3215 103.429
209 1.9413 -1350.3214 103.742
210 1.9463 -1350.3213 104.055
211 1.9513 -1350.3212 104.369
212 1.9563 -1350.3211 104.683
213 1.9613 -1350.3209 104.998
214 1.9663 -1350.3208 105.314
215 1.9713 -1350.3207 105.630
216 1.9763 -1350.3206 105.947
217 1.9814 -1350.3205 106.265
218 1.9864 -1350.3203 106.582
219 1.9914 -1350.3202 106.901
220 1.9964 -1350.3201 107.220
221 2.0014 -1350.3200 107.539
222 2.0064 -1350.3199 107.859
223 2.0114 -1350.3197 108.179
224 2.0164 -1350.3196 108.500
225 2.0214 -1350.3195 108.821
226 2.0264 -1350.3194 109.142
227 2.0314 -1350.3192 109.464
228 2.0364 -1350.3191 109.786
229 2.0414 -1350.3190 110.108
230 2.0464 -1350.3189 110.430
231 2.0514 -1350.3188 110.754
232 2.0564 -1350.3186 111.077
233 2.0615 -1350.3185 111.400
234 2.0665 -1350.3184 111.724
235 2.0715 -1350.3183 112.048
236 2.0765 -1350.3181 112.371
237 2.0815 -1350.3180 112.696
238 2.0865 -1350.3179 113.020
239 2.0915 -1350.3178 113.344
240 2.0965 -1350.3176 113.670
241 2.1015 -1350.3175 113.993
242 2.1065 -1350.3174 114.318
243 2.1115 -1350.3173 114.644
244 2.1165 -1350.3172 114.968
245 2.1215 -1350.3170 115.293
246 2.1265 -1350.3169 115.618
247 2.1315 -1350.3168 115.942
248 2.1365 -1350.3167 116.268
249 2.1416 -1350.3165 116.592
250 2.1466 -1350.3164 116.916
251 2.1516 -1350.3163 117.241
252 2.1566 -1350.3162 117.566
253 2.1616 -1350.3160 117.890
254 2.1666 -1350.3159 118.214
255 2.1716 -1350.3158 118.538
256 2.1766 -1350.3157 118.862
257 2.1816 -1350.3155 119.186
258 2.1866 -1350.3154 119.509
259 2.1916 -1350.3153 119.832
260 2.1966 -1350.3152 120.155
261 2.2016 -1350.3151 120.478
262 2.2066 -1350.3149 120.800
263 2.2116 -1350.3148 121.122
264 2.2166 -1350.3147 121.444
265 2.2217 -1350.3146 121.765
266 2.2267 -1350.3144 122.087
267 2.2317 -1350.3143 122.407
268 2.2367 -1350.3142 122.728
269 2.2417 -1350.3141 123.048
270 2.2467 -1350.3140 123.368
271 2.2517 -1350.3138 123.687
272 2.2567 -1350.3137 124.006
273 2.2617 -1350.3136 124.325
274 2.2667 -1350.3135 124.643
275 2.2717 -1350.3133 124.961
276 2.2767 -1350.3132 125.278
277 2.2817 -1350.3131 125.595
278 2.2867 -1350.3130 125.912
279 2.2917 -1350.3129 126.228
280 2.2967 -1350.3127 126.543
281 2.3018 -1350.3126 126.858
282 2.3068 -1350.3125 127.173
283 2.3118 -1350.3124 127.487
284 2.3168 -1350.3123 127.801
285 2.3218 -1350.3121 128.114
286 2.3268 -1350.3120 128.426
287 2.3318 -1350.3119 128.738
288 2.3368 -1350.3118 129.050
289 2.3418 -1350.3117 129.361
290 2.3468 -1350.3116 129.671
291 2.3518 -1350.3114 129.981
292 2.3568 -1350.3113 130.290
293 2.3618 -1350.3112 130.599
294 2.3668 -1350.3111 130.907
295 2.3718 -1350.3110 131.215
296 2.3768 -1350.3108 131.522
297 2.3819 -1350.3107 131.828
298 2.3869 -1350.3106 132.134
299 2.3919 -1350.3105 132.439
300 2.3969 -1350.3104 132.744
301 2.4019 -1350.3103 133.048
302 2.4069 -1350.3102 133.351
303 2.4119 -1350.3100 133.654
304 2.4169 -1350.3099 133.956
305 2.4219 -1350.3098 134.258
306 2.4269 -1350.3097 134.559
307 2.4319 -1350.3096 134.859
308 2.4369 -1350.3095 135.158
309 2.4419 -1350.3093 135.457
310 2.4469 -1350.3092 135.755
311 2.4519 -1350.3091 136.053
312 2.4569 -1350.3090 136.350
313 2.4620 -1350.3089 136.646
314 2.4670 -1350.3088 136.941
315 2.4720 -1350.3087 137.236
316 2.4770 -1350.3086 137.530
317 2.4820 -1350.3084 137.824
318 2.4870 -1350.3083 138.116
319 2.4920 -1350.3082 138.408
320 2.4970 -1350.3081 138.699
321 2.5020 -1350.3080 138.990
322 2.5070 -1350.3079 139.280
323 2.5120 -1350.3078 139.569
324 2.5170 -1350.3077 139.857
325 2.5220 -1350.3076 140.144
326 2.5270 -1350.3075 140.431
327 2.5320 -1350.3073 140.717
328 2.5370 -1350.3072 141.002
329 2.5421 -1350.3071 141.287
330 2.5471 -1350.3070 141.572
331 2.5521 -1350.3069 141.853
332 2.5571 -1350.3068 142.136
333 2.5621 -1350.3067 142.427
334 2.5671 -1350.3066 142.697
335 2.5721 -1350.3065 142.978
336 2.5771 -1350.3064 143.258
337 2.5821 -1350.3063 143.535
338 2.5871 -1350.3062 143.813
339 2.5921 -1350.3061 144.090
340 2.5971 -1350.3060 144.365
341 2.6021 -1350.3059 144.641
342 2.6071 -1350.3057 144.918
343 2.6121 -1350.3056 145.188
344 2.6171 -1350.3055 145.461
345 2.6222 -1350.3054 145.734
346 2.6272 -1350.3053 146.004
347 2.6322 -1350.3052 146.275
348 2.6372 -1350.3051 146.544
349 2.6422 -1350.3050 146.813
350 2.6472 -1350.3049 147.086
351 2.6522 -1350.3048 147.348
352 2.6572 -1350.3047 147.615
353 2.6622 -1350.3046 147.881
354 2.6672 -1350.3045 148.143
355 2.6722 -1350.3044 148.408
356 2.6772 -1350.3043 148.670
357 2.6822 -1350.3042 148.933
358 2.6872 -1350.3041 149.194
359 2.6922 -1350.3040 149.456
360 2.6972 -1350.3039 149.715
361 2.7023 -1350.3038 149.975
362 2.7073 -1350.3037 150.243
363 2.7123 -1350.3036 150.491
364 2.7173 -1350.3035 150.748
365 2.7223 -1350.3034 151.006
366 2.7273 -1350.3033 151.260
367 2.7323 -1350.3032 151.514
368 2.7373 -1350.3031 151.769
369 2.7423 -1350.3030 152.021
370 2.7473 -1350.3029 152.273
371 2.7523 -1350.3028 152.527
372 2.7573 -1350.3028 152.775
373 2.7623 -1350.3027 153.025
374 2.7673 -1350.3026 153.275
375 2.7723 -1350.3025 153.522
376 2.7773 -1350.3024 153.769
377 2.7824 -1350.3023 154.019
378 2.7874 -1350.3022 154.261
379 2.7924 -1350.3021 154.506
380 2.7974 -1350.3020 154.751
381 2.8024 -1350.3019 154.993
382 2.8074 -1350.3018 155.236
383 2.8124 -1350.3017 155.482
384 2.8174 -1350.3016 155.718
385 2.8224 -1350.3015 155.958
386 2.8274 -1350.3014 156.199
387 2.8324 -1350.3014 156.436
388 2.8374 -1350.3013 156.673
389 2.8424 -1350.3012 156.912
390 2.8474 -1350.3011 157.146
391 2.8524 -1350.3010 157.381
392 2.8574 -1350.3009 157.617
393 2.8625 -1350.3008 157.848
394 2.8675 -1350.3007 158.081
395 2.8725 -1350.3006 158.315
396 2.8775 -1350.3006 158.544
397 2.8825 -1350.3005 158.774
398 2.8875 -1350.3004 159.005
399 2.8925 -1350.3003 159.231
400 2.8975 -1350.3002 159.459
401 2.9025 -1350.3001 159.688
402 2.9075 -1350.3000 159.912
403 2.9125 -1350.2999 160.137
404 2.9175 -1350.2999 160.363
405 2.9225 -1350.2998 160.585
406 2.9275 -1350.2997 160.807
407 2.9325 -1350.2996 161.035
408 2.9375 -1350.2995 161.250
409 2.9426 -1350.2994 161.470
410 2.9476 -1350.2994 161.691
411 2.9526 -1350.2993 161.907
412 2.9576 -1350.2992 162.125
413 2.9626 -1350.2991 162.344
414 2.9676 -1350.2990 162.557
415 2.9726 -1350.2989 162.773
416 2.9776 -1350.2989 162.989
417 2.9826 -1350.2988 163.200
418 2.9876 -1350.2987 163.412
419 2.9926 -1350.2986 163.626
420 2.9976 -1350.2985 163.834
421 3.0026 -1350.2985 164.045
422 3.0076 -1350.2984 164.256
423 3.0126 -1350.2983 164.461
424 3.0176 -1350.2982 164.669
425 3.0227 -1350.2981 164.877
426 3.0277 -1350.2981 165.081
427 3.0327 -1350.2980 165.286
428 3.0377 -1350.2979 165.492
429 3.0427 -1350.2978 165.692
430 3.0477 -1350.2978 165.895
431 3.0527 -1350.2977 166.103
432 3.0577 -1350.2976 166.296
433 3.0627 -1350.2975 166.496
434 3.0677 -1350.2975 166.695
435 3.0727 -1350.2974 166.891
436 3.0777 -1350.2973 167.090
437 3.0827 -1350.2972 167.284
438 3.0877 -1350.2972 167.480
439 3.0927 -1350.2971 167.675
440 3.0977 -1350.2970 167.866
441 3.1028 -1350.2969 168.059
442 3.1078 -1350.2969 168.250
443 3.1128 -1350.2968 168.441
444 3.1178 -1350.2967 168.640
445 3.1228 -1350.2966 168.821
446 3.1278 -1350.2966 169.010
447 3.1328 -1350.2965 169.200
448 3.1378 -1350.2964 169.384
449 3.1428 -1350.2964 169.570
450 3.1478 -1350.2963 169.758
451 3.1528 -1350.2962 169.940
452 3.1578 -1350.2961 170.124
453 3.1628 -1350.2961 170.309
454 3.1678 -1350.2960 170.488
455 3.1728 -1350.2959 170.670
456 3.1778 -1350.2959 170.853
457 3.1829 -1350.2958 171.030
458 3.1879 -1350.2957 171.209
459 3.1929 -1350.2957 171.390
460 3.1979 -1350.2956 171.564
461 3.2029 -1350.2955 171.741
462 3.2079 -1350.2955 171.919
463 3.2129 -1350.2954 172.092
464 3.2179 -1350.2953 172.266
465 3.2229 -1350.2953 172.442
466 3.2279 -1350.2952 172.612
467 3.2329 -1350.2951 172.785
468 3.2379 -1350.2951 172.958
469 3.2429 -1350.2950 173.126
470 3.2479 -1350.2949 173.296
471 3.2529 -1350.2949 173.471
472 3.2579 -1350.2948 173.633
473 3.2630 -1350.2947 173.801
474 3.2680 -1350.2947 173.968
475 3.2730 -1350.2946 174.130
476 3.2780 -1350.2946 174.296
477 3.2830 -1350.2945 174.459
478 3.2880 -1350.2944 174.624
479 3.2930 -1350.2944 174.790
480 3.2980 -1350.2943 174.949
481 3.3030 -1350.2942 175.111
482 3.3080 -1350.2942 175.273
483 3.3130 -1350.2941 175.431
484 3.3180 -1350.2941 175.591
485 3.3230 -1350.2940 175.752
486 3.3280 -1350.2939 175.907
487 3.3330 -1350.2939 176.065
488 3.3380 -1350.2938 176.220
489 3.3431 -1350.2938 176.376
490 3.3481 -1350.2937 176.536
491 3.3531 -1350.2936 176.684
492 3.3581 -1350.2936 176.838
493 3.3631 -1350.2935 176.993
494 3.3681 -1350.2935 177.143
495 3.3731 -1350.2934 177.294
496 3.3781 -1350.2934 177.447
497 3.3831 -1350.2933 177.594
498 3.3881 -1350.2932 177.743
499 3.3931 -1350.2932 177.893
500 3.3981 -1350.2931 178.039
501 3.4031 -1350.2931 178.186
502 3.4081 -1350.2930 178.334
503 3.4131 -1350.2930 178.477
504 3.4181 -1350.2929 178.622
505 3.4232 -1350.2929 178.768
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