4-MeOPhN2+ BF4-
n | d, A | Eh | E, kJ/mol |
46 min | 1.3511 | -880.1505 | 143.848 |
54 max | 1.4313 | -880.1478 | 151.002 |
55 min | 1.4414 | -880.1511 | 142.338 |
162 max | 2.5140 | -880.0947 | 290.333 |
305 min | 3.9476 | -880.2053 | 0.000 |
n | d, A | Eh | E, kJ/mol |
1 | 0.9000 | -879.6884 | 1357.231 |
2 | 0.9100 | -879.7213 | 1270.874 |
3 | 0.9201 | -879.7522 | 1189.750 |
4 | 0.9301 | -879.7812 | 1113.537 |
5 | 0.9401 | -879.8084 | 1041.984 |
6 | 0.9501 | -879.8340 | 974.828 |
7 | 0.9602 | -879.8580 | 911.841 |
8 | 0.9702 | -879.8805 | 852.770 |
9 | 0.9802 | -879.9016 | 797.429 |
10 | 0.9902 | -879.9213 | 745.599 |
11 | 1.0003 | -879.9398 | 697.101 |
12 | 1.0103 | -879.9571 | 651.730 |
13 | 1.0203 | -879.9732 | 609.336 |
14 | 1.0303 | -879.9883 | 569.743 |
15 | 1.0404 | -880.0024 | 532.811 |
16 | 1.0504 | -880.0155 | 498.371 |
17 | 1.0604 | -880.0277 | 466.300 |
18 | 1.0704 | -880.0391 | 436.469 |
19 | 1.0805 | -880.0496 | 408.757 |
20 | 1.0905 | -880.0594 | 383.013 |
21 | 1.1005 | -880.0685 | 359.175 |
22 | 1.1105 | -880.0769 | 337.099 |
23 | 1.1206 | -880.0847 | 316.716 |
24 | 1.1306 | -880.0918 | 297.914 |
25 | 1.1406 | -880.0984 | 280.596 |
26 | 1.1506 | -880.1045 | 264.682 |
27 | 1.1607 | -880.1101 | 250.113 |
28 | 1.1707 | -880.1151 | 236.797 |
29 | 1.1807 | -880.1197 | 224.659 |
30 | 1.1907 | -880.1239 | 213.632 |
31 | 1.2008 | -880.1278 | 203.650 |
32 | 1.2108 | -880.1312 | 194.652 |
33 | 1.2208 | -880.1343 | 186.579 |
34 | 1.2308 | -880.1370 | 179.376 |
35 | 1.2409 | -880.1394 | 172.989 |
36 | 1.2509 | -880.1416 | 167.341 |
37 | 1.2609 | -880.1434 | 162.439 |
38 | 1.2709 | -880.1451 | 158.191 |
39 | 1.2810 | -880.1464 | 154.571 |
40 | 1.2910 | -880.1476 | 151.558 |
41 | 1.3010 | -880.1485 | 149.105 |
42 | 1.3110 | -880.1493 | 147.165 |
43 | 1.3211 | -880.1498 | 145.701 |
44 | 1.3311 | -880.1502 | 144.682 |
45 | 1.3411 | -880.1504 | 144.074 |
46 | 1.3511 | -880.1505 | 143.848 |
47 | 1.3612 | -880.1505 | 143.975 |
48 | 1.3712 | -880.1503 | 144.373 |
49 | 1.3812 | -880.1500 | 145.116 |
50 | 1.3912 | -880.1497 | 146.104 |
51 | 1.4013 | -880.1492 | 147.385 |
52 | 1.4113 | -880.1486 | 148.837 |
53 | 1.4213 | -880.1480 | 150.538 |
54 | 1.4313 | -880.1478 | 151.002 |
55 | 1.4414 | -880.1511 | 142.338 |
56 | 1.4514 | -880.1505 | 143.958 |
57 | 1.4614 | -880.1498 | 145.888 |
58 | 1.4714 | -880.1490 | 147.886 |
59 | 1.4815 | -880.1482 | 150.064 |
60 | 1.4915 | -880.1473 | 152.285 |
61 | 1.5015 | -880.1464 | 154.652 |
62 | 1.5115 | -880.1455 | 157.038 |
63 | 1.5216 | -880.1445 | 159.546 |
64 | 1.5316 | -880.1436 | 162.053 |
65 | 1.5416 | -880.1426 | 164.657 |
66 | 1.5516 | -880.1416 | 167.240 |
67 | 1.5617 | -880.1406 | 169.908 |
68 | 1.5717 | -880.1396 | 172.542 |
69 | 1.5817 | -880.1386 | 175.244 |
70 | 1.5917 | -880.1376 | 177.901 |
71 | 1.6018 | -880.1365 | 180.609 |
72 | 1.6118 | -880.1355 | 183.266 |
73 | 1.6218 | -880.1345 | 185.897 |
74 | 1.6318 | -880.1335 | 188.570 |
75 | 1.6419 | -880.1325 | 191.199 |
76 | 1.6519 | -880.1315 | 193.797 |
77 | 1.6619 | -880.1305 | 196.372 |
78 | 1.6719 | -880.1295 | 198.957 |
79 | 1.6820 | -880.1286 | 201.488 |
80 | 1.6920 | -880.1276 | 203.988 |
81 | 1.7020 | -880.1267 | 206.457 |
82 | 1.7120 | -880.1258 | 208.890 |
83 | 1.7221 | -880.1248 | 211.287 |
84 | 1.7321 | -880.1239 | 213.646 |
85 | 1.7421 | -880.1231 | 215.965 |
86 | 1.7521 | -880.1222 | 218.243 |
87 | 1.7622 | -880.1213 | 220.480 |
88 | 1.7722 | -880.1205 | 222.675 |
89 | 1.7822 | -880.1197 | 224.827 |
90 | 1.7922 | -880.1189 | 226.936 |
91 | 1.8023 | -880.1181 | 229.001 |
92 | 1.8123 | -880.1173 | 231.023 |
93 | 1.8223 | -880.1166 | 233.002 |
94 | 1.8323 | -880.1158 | 234.936 |
95 | 1.8424 | -880.1151 | 236.828 |
96 | 1.8524 | -880.1144 | 238.675 |
97 | 1.8624 | -880.1137 | 240.480 |
98 | 1.8724 | -880.1131 | 242.241 |
99 | 1.8825 | -880.1124 | 243.960 |
100 | 1.8925 | -880.1118 | 245.636 |
101 | 1.9025 | -880.1111 | 247.270 |
102 | 1.9125 | -880.1105 | 248.863 |
103 | 1.9226 | -880.1099 | 250.415 |
104 | 1.9326 | -880.1094 | 251.926 |
105 | 1.9426 | -880.1088 | 253.396 |
106 | 1.9526 | -880.1083 | 254.827 |
107 | 1.9627 | -880.1077 | 256.219 |
108 | 1.9727 | -880.1072 | 257.572 |
109 | 1.9827 | -880.1067 | 258.887 |
110 | 1.9927 | -880.1062 | 260.163 |
111 | 2.0028 | -880.1058 | 261.403 |
112 | 2.0128 | -880.1053 | 262.606 |
113 | 2.0228 | -880.1049 | 263.774 |
114 | 2.0328 | -880.1044 | 264.907 |
115 | 2.0429 | -880.1040 | 266.005 |
116 | 2.0529 | -880.1036 | 267.070 |
117 | 2.0629 | -880.1032 | 268.101 |
118 | 2.0729 | -880.1028 | 269.100 |
119 | 2.0830 | -880.1025 | 270.068 |
120 | 2.0930 | -880.1021 | 271.006 |
121 | 2.1030 | -880.1018 | 271.913 |
122 | 2.1130 | -880.1014 | 272.791 |
123 | 2.1231 | -880.1011 | 273.640 |
124 | 2.1331 | -880.1008 | 274.460 |
125 | 2.1431 | -880.1005 | 275.253 |
126 | 2.1531 | -880.1002 | 276.020 |
127 | 2.1632 | -880.0999 | 276.760 |
128 | 2.1732 | -880.0996 | 277.475 |
129 | 2.1832 | -880.0994 | 278.165 |
130 | 2.1932 | -880.0991 | 278.831 |
131 | 2.2033 | -880.0989 | 279.472 |
132 | 2.2133 | -880.0986 | 280.090 |
133 | 2.2233 | -880.0984 | 280.687 |
134 | 2.2333 | -880.0982 | 281.261 |
135 | 2.2434 | -880.0980 | 281.814 |
136 | 2.2534 | -880.0978 | 282.346 |
137 | 2.2634 | -880.0976 | 282.858 |
138 | 2.2734 | -880.0974 | 283.350 |
139 | 2.2835 | -880.0972 | 283.822 |
140 | 2.2935 | -880.0970 | 284.273 |
141 | 2.3035 | -880.0969 | 284.705 |
142 | 2.3135 | -880.0967 | 285.120 |
143 | 2.3236 | -880.0966 | 285.516 |
144 | 2.3336 | -880.0964 | 285.882 |
145 | 2.3436 | -880.0963 | 286.203 |
146 | 2.3536 | -880.0962 | 286.526 |
147 | 2.3637 | -880.0961 | 286.821 |
148 | 2.3737 | -880.0960 | 287.113 |
149 | 2.3837 | -880.0958 | 287.422 |
150 | 2.3937 | -880.0957 | 287.721 |
151 | 2.4038 | -880.0956 | 288.009 |
152 | 2.4138 | -880.0955 | 288.283 |
153 | 2.4238 | -880.0954 | 288.544 |
154 | 2.4338 | -880.0953 | 288.794 |
155 | 2.4439 | -880.0952 | 289.031 |
156 | 2.4539 | -880.0951 | 289.255 |
157 | 2.4639 | -880.0951 | 289.465 |
158 | 2.4739 | -880.0950 | 289.666 |
159 | 2.4840 | -880.0949 | 289.853 |
160 | 2.4940 | -880.0949 | 290.026 |
161 | 2.5040 | -880.0948 | 290.186 |
162 | 2.5140 | -880.0947 | 290.333 |
163 | 2.5241 | -880.0961 | 286.758 |
164 | 2.5341 | -880.0985 | 280.479 |
165 | 2.5441 | -880.1965 | 23.044 |
166 | 2.5541 | -880.1968 | 22.241 |
167 | 2.5642 | -880.1971 | 21.464 |
168 | 2.5742 | -880.1974 | 20.712 |
169 | 2.5842 | -880.1977 | 19.983 |
170 | 2.5942 | -880.1980 | 19.278 |
171 | 2.6043 | -880.1982 | 18.595 |
172 | 2.6143 | -880.1985 | 17.934 |
173 | 2.6243 | -880.1987 | 17.293 |
174 | 2.6343 | -880.1990 | 16.674 |
175 | 2.6444 | -880.1992 | 16.075 |
176 | 2.6544 | -880.1994 | 15.495 |
177 | 2.6644 | -880.1996 | 14.934 |
178 | 2.6744 | -880.1998 | 14.392 |
179 | 2.6845 | -880.2000 | 13.867 |
180 | 2.6945 | -880.2002 | 13.360 |
181 | 2.7045 | -880.2004 | 12.869 |
182 | 2.7145 | -880.2006 | 12.394 |
183 | 2.7246 | -880.2008 | 11.936 |
184 | 2.7346 | -880.2009 | 11.492 |
185 | 2.7446 | -880.2011 | 11.063 |
186 | 2.7546 | -880.2013 | 10.649 |
187 | 2.7647 | -880.2014 | 10.248 |
188 | 2.7747 | -880.2016 | 9.861 |
189 | 2.7847 | -880.2017 | 9.488 |
190 | 2.7947 | -880.2018 | 9.127 |
191 | 2.8048 | -880.2020 | 8.769 |
192 | 2.8148 | -880.2021 | 8.429 |
193 | 2.8248 | -880.2022 | 8.102 |
194 | 2.8348 | -880.2024 | 7.787 |
195 | 2.8449 | -880.2025 | 7.484 |
196 | 2.8549 | -880.2026 | 7.192 |
197 | 2.8649 | -880.2027 | 6.910 |
198 | 2.8749 | -880.2028 | 6.638 |
199 | 2.8850 | -880.2029 | 6.377 |
200 | 2.8950 | -880.2030 | 6.124 |
201 | 2.9050 | -880.2031 | 5.881 |
202 | 2.9150 | -880.2032 | 5.646 |
203 | 2.9251 | -880.2033 | 5.420 |
204 | 2.9351 | -880.2033 | 5.201 |
205 | 2.9451 | -880.2034 | 4.991 |
206 | 2.9551 | -880.2035 | 4.789 |
207 | 2.9652 | -880.2036 | 4.594 |
208 | 2.9752 | -880.2036 | 4.406 |
209 | 2.9852 | -880.2037 | 4.225 |
210 | 2.9952 | -880.2038 | 4.051 |
211 | 3.0053 | -880.2038 | 3.884 |
212 | 3.0153 | -880.2039 | 3.722 |
213 | 3.0253 | -880.2040 | 3.567 |
214 | 3.0353 | -880.2040 | 3.417 |
215 | 3.0454 | -880.2041 | 3.273 |
216 | 3.0554 | -880.2041 | 3.135 |
217 | 3.0654 | -880.2042 | 3.001 |
218 | 3.0754 | -880.2042 | 2.874 |
219 | 3.0855 | -880.2043 | 2.751 |
220 | 3.0955 | -880.2043 | 2.632 |
221 | 3.1055 | -880.2044 | 2.519 |
222 | 3.1155 | -880.2044 | 2.410 |
223 | 3.1256 | -880.2044 | 2.305 |
224 | 3.1356 | -880.2045 | 2.204 |
225 | 3.1456 | -880.2045 | 2.108 |
226 | 3.1556 | -880.2045 | 2.015 |
227 | 3.1657 | -880.2046 | 1.926 |
228 | 3.1757 | -880.2046 | 1.841 |
229 | 3.1857 | -880.2046 | 1.759 |
230 | 3.1957 | -880.2047 | 1.680 |
231 | 3.2058 | -880.2047 | 1.605 |
232 | 3.2158 | -880.2047 | 1.533 |
233 | 3.2258 | -880.2048 | 1.463 |
234 | 3.2358 | -880.2048 | 1.397 |
235 | 3.2459 | -880.2048 | 1.333 |
236 | 3.2559 | -880.2048 | 1.273 |
237 | 3.2659 | -880.2049 | 1.215 |
238 | 3.2759 | -880.2049 | 1.159 |
239 | 3.2860 | -880.2049 | 1.105 |
240 | 3.2960 | -880.2049 | 1.053 |
241 | 3.3060 | -880.2049 | 1.004 |
242 | 3.3160 | -880.2050 | 0.956 |
243 | 3.3261 | -880.2050 | 0.910 |
244 | 3.3361 | -880.2050 | 0.867 |
245 | 3.3461 | -880.2050 | 0.825 |
246 | 3.3561 | -880.2050 | 0.785 |
247 | 3.3662 | -880.2050 | 0.746 |
248 | 3.3762 | -880.2050 | 0.709 |
249 | 3.3862 | -880.2051 | 0.674 |
250 | 3.3962 | -880.2051 | 0.640 |
251 | 3.4063 | -880.2051 | 0.607 |
252 | 3.4163 | -880.2051 | 0.576 |
253 | 3.4263 | -880.2051 | 0.546 |
254 | 3.4363 | -880.2051 | 0.519 |
255 | 3.4464 | -880.2051 | 0.494 |
256 | 3.4564 | -880.2051 | 0.470 |
257 | 3.4664 | -880.2051 | 0.447 |
258 | 3.4764 | -880.2052 | 0.425 |
259 | 3.4865 | -880.2052 | 0.404 |
260 | 3.4965 | -880.2052 | 0.384 |
261 | 3.5065 | -880.2052 | 0.364 |
262 | 3.5165 | -880.2052 | 0.345 |
263 | 3.5266 | -880.2052 | 0.327 |
264 | 3.5366 | -880.2052 | 0.309 |
265 | 3.5466 | -880.2052 | 0.293 |
266 | 3.5566 | -880.2052 | 0.276 |
267 | 3.5667 | -880.2052 | 0.261 |
268 | 3.5767 | -880.2052 | 0.246 |
269 | 3.5867 | -880.2052 | 0.232 |
270 | 3.5967 | -880.2052 | 0.218 |
271 | 3.6068 | -880.2052 | 0.205 |
272 | 3.6168 | -880.2052 | 0.192 |
273 | 3.6268 | -880.2052 | 0.181 |
274 | 3.6368 | -880.2053 | 0.169 |
275 | 3.6469 | -880.2053 | 0.158 |
276 | 3.6569 | -880.2053 | 0.148 |
277 | 3.6669 | -880.2053 | 0.138 |
278 | 3.6769 | -880.2053 | 0.129 |
279 | 3.6870 | -880.2053 | 0.120 |
280 | 3.6970 | -880.2053 | 0.112 |
281 | 3.7070 | -880.2053 | 0.104 |
282 | 3.7170 | -880.2053 | 0.096 |
283 | 3.7271 | -880.2053 | 0.089 |
284 | 3.7371 | -880.2053 | 0.082 |
285 | 3.7471 | -880.2053 | 0.076 |
286 | 3.7571 | -880.2053 | 0.069 |
287 | 3.7672 | -880.2053 | 0.064 |
288 | 3.7772 | -880.2053 | 0.058 |
289 | 3.7872 | -880.2053 | 0.053 |
290 | 3.7972 | -880.2053 | 0.048 |
291 | 3.8073 | -880.2053 | 0.043 |
292 | 3.8173 | -880.2053 | 0.039 |
293 | 3.8273 | -880.2053 | 0.035 |
294 | 3.8373 | -880.2053 | 0.031 |
295 | 3.8474 | -880.2053 | 0.027 |
296 | 3.8574 | -880.2053 | 0.024 |
297 | 3.8674 | -880.2053 | 0.020 |
298 | 3.8774 | -880.2053 | 0.017 |
299 | 3.8875 | -880.2053 | 0.014 |
300 | 3.8975 | -880.2053 | 0.011 |
301 | 3.9075 | -880.2053 | 0.009 |
302 | 3.9175 | -880.2053 | 0.006 |
303 | 3.9276 | -880.2053 | 0.004 |
304 | 3.9376 | -880.2053 | 0.002 |
305 | 3.9476 | -880.2053 | 0.000 |
306 | 3.9576 | -880.2053 | 0.000 |
307 | 3.9677 | -880.2053 | 0.001 |
308 | 3.9777 | -880.2053 | 0.001 |
309 | 3.9877 | -880.2053 | 0.001 |
310 | 3.9977 | -880.2053 | 0.001 |
311 | 4.0078 | -880.2053 | 0.002 |
312 | 4.0178 | -880.2053 | 0.002 |
313 | 4.0278 | -880.2053 | 0.002 |
314 | 4.0378 | -880.2053 | 0.003 |
315 | 4.0479 | -880.2053 | 0.003 |
316 | 4.0579 | -880.2053 | 0.004 |
317 | 4.0679 | -880.2053 | 0.005 |
318 | 4.0779 | -880.2053 | 0.006 |
319 | 4.0880 | -880.2053 | 0.008 |
320 | 4.0980 | -880.2053 | 0.010 |
321 | 4.1080 | -880.2053 | 0.012 |
322 | 4.1180 | -880.2053 | 0.014 |
323 | 4.1281 | -880.2053 | 0.016 |
324 | 4.1381 | -880.2053 | 0.018 |
325 | 4.1481 | -880.2053 | 0.021 |
326 | 4.1581 | -880.2053 | 0.023 |
327 | 4.1682 | -880.2053 | 0.025 |
328 | 4.1782 | -880.2053 | 0.028 |
329 | 4.1882 | -880.2053 | 0.030 |
330 | 4.1982 | -880.2053 | 0.033 |
331 | 4.2083 | -880.2053 | 0.035 |
332 | 4.2183 | -880.2053 | 0.038 |
333 | 4.2283 | -880.2053 | 0.040 |
334 | 4.2383 | -880.2053 | 0.043 |
335 | 4.2484 | -880.2053 | 0.045 |
336 | 4.2584 | -880.2053 | 0.048 |
337 | 4.2684 | -880.2053 | 0.050 |
338 | 4.2784 | -880.2053 | 0.053 |
339 | 4.2885 | -880.2053 | 0.055 |
340 | 4.2985 | -880.2053 | 0.057 |
341 | 4.3085 | -880.2053 | 0.059 |
342 | 4.3185 | -880.2053 | 0.062 |
343 | 4.3286 | -880.2053 | 0.064 |
344 | 4.3386 | -880.2053 | 0.066 |
345 | 4.3486 | -880.2053 | 0.069 |
346 | 4.3586 | -880.2053 | 0.071 |
347 | 4.3687 | -880.2053 | 0.073 |
348 | 4.3787 | -880.2053 | 0.075 |
349 | 4.3887 | -880.2053 | 0.077 |
350 | 4.3987 | -880.2053 | 0.080 |
351 | 4.4088 | -880.2053 | 0.082 |
352 | 4.4188 | -880.2053 | 0.085 |
353 | 4.4288 | -880.2053 | 0.087 |
354 | 4.4388 | -880.2053 | 0.090 |
355 | 4.4489 | -880.2053 | 0.092 |
356 | 4.4589 | -880.2053 | 0.095 |
357 | 4.4689 | -880.2053 | 0.098 |
358 | 4.4789 | -880.2053 | 0.100 |
359 | 4.4890 | -880.2053 | 0.101 |
360 | 4.4990 | -880.2053 | 0.102 |
361 | 4.5090 | -880.2053 | 0.104 |
362 | 4.5190 | -880.2053 | 0.106 |
363 | 4.5291 | -880.2053 | 0.107 |
364 | 4.5391 | -880.2053 | 0.108 |
365 | 4.5491 | -880.2053 | 0.109 |
366 | 4.5591 | -880.2053 | 0.111 |
367 | 4.5692 | -880.2053 | 0.114 |
368 | 4.5792 | -880.2053 | 0.116 |
369 | 4.5892 | -880.2053 | 0.119 |
370 | 4.5992 | -880.2053 | 0.121 |
371 | 4.6093 | -880.2053 | 0.124 |
372 | 4.6193 | -880.2053 | 0.126 |
373 | 4.6293 | -880.2053 | 0.129 |
374 | 4.6393 | -880.2053 | 0.131 |
375 | 4.6494 | -880.2053 | 0.134 |
376 | 4.6594 | -880.2053 | 0.136 |
377 | 4.6694 | -880.2053 | 0.139 |
378 | 4.6794 | -880.2053 | 0.141 |
379 | 4.6895 | -880.2053 | 0.144 |
380 | 4.6995 | -880.2053 | 0.146 |
381 | 4.7095 | -880.2053 | 0.148 |
382 | 4.7195 | -880.2053 | 0.150 |
383 | 4.7296 | -880.2053 | 0.152 |
384 | 4.7396 | -880.2053 | 0.154 |
385 | 4.7496 | -880.2053 | 0.154 |
386 | 4.7596 | -880.2053 | 0.154 |
387 | 4.7697 | -880.2053 | 0.155 |
388 | 4.7797 | -880.2053 | 0.156 |
389 | 4.7897 | -880.2053 | 0.157 |
390 | 4.7997 | -880.2053 | 0.158 |
391 | 4.8098 | -880.2053 | 0.159 |
392 | 4.8198 | -880.2053 | 0.161 |
393 | 4.8298 | -880.2053 | 0.162 |
394 | 4.8398 | -880.2053 | 0.164 |
395 | 4.8499 | -880.2053 | 0.165 |
396 | 4.8599 | -880.2053 | 0.166 |
397 | 4.8699 | -880.2053 | 0.168 |
398 | 4.8799 | -880.2053 | 0.169 |
399 | 4.8900 | -880.2053 | 0.171 |
400 | 4.9000 | -880.2053 | 0.172 |