PhN2+ NO3-
n | d, A | Eh | E, kJ/mol |
43 min | 1.3211 | -621.4357 | 3.975 |
70 max | 1.5917 | -621.4051 | 84.177 |
71 min | 1.6018 | -621.4372 | 0.000 |
127 max | 2.1632 | -621.3953 | 110.002 |
263 min | 3.5266 | -621.4269 | 27.068 |
n | d, A | Eh | E, kJ/mol |
1 | 0.9000 | -621.0005 | 1146.665 |
2 | 0.9100 | -621.0325 | 1062.524 |
3 | 0.9201 | -621.0626 | 983.549 |
4 | 0.9301 | -621.0908 | 909.441 |
5 | 0.9401 | -621.1173 | 839.943 |
6 | 0.9501 | -621.1421 | 774.803 |
7 | 0.9602 | -621.1653 | 713.787 |
8 | 0.9702 | -621.1871 | 656.669 |
9 | 0.9802 | -621.2074 | 603.240 |
10 | 0.9902 | -621.2265 | 553.284 |
11 | 1.0003 | -621.2442 | 506.640 |
12 | 1.0103 | -621.2608 | 463.087 |
13 | 1.0203 | -621.2763 | 422.493 |
14 | 1.0303 | -621.2907 | 384.674 |
15 | 1.0404 | -621.3041 | 349.459 |
16 | 1.0504 | -621.3165 | 316.978 |
17 | 1.0604 | -621.3281 | 286.366 |
18 | 1.0704 | -621.3388 | 258.215 |
19 | 1.0805 | -621.3488 | 232.133 |
20 | 1.0905 | -621.3580 | 208.045 |
21 | 1.1005 | -621.3664 | 185.811 |
22 | 1.1105 | -621.3742 | 165.321 |
23 | 1.1206 | -621.3814 | 146.527 |
24 | 1.1306 | -621.3880 | 129.259 |
25 | 1.1406 | -621.3940 | 113.499 |
26 | 1.1506 | -621.3995 | 99.098 |
27 | 1.1607 | -621.4044 | 86.041 |
28 | 1.1707 | -621.4089 | 74.210 |
29 | 1.1807 | -621.4130 | 63.534 |
30 | 1.1907 | -621.4166 | 53.990 |
31 | 1.2008 | -621.4199 | 45.438 |
32 | 1.2108 | -621.4228 | 37.885 |
33 | 1.2208 | -621.4253 | 31.216 |
34 | 1.2308 | -621.4275 | 25.428 |
35 | 1.2409 | -621.4294 | 20.449 |
36 | 1.2509 | -621.4310 | 16.207 |
37 | 1.2609 | -621.4324 | 12.668 |
38 | 1.2709 | -621.4335 | 9.801 |
39 | 1.2810 | -621.4343 | 7.562 |
40 | 1.2910 | -621.4350 | 5.886 |
41 | 1.3010 | -621.4354 | 4.768 |
42 | 1.3110 | -621.4356 | 4.155 |
43 | 1.3211 | -621.4357 | 3.975 |
44 | 1.3311 | -621.4356 | 4.258 |
45 | 1.3411 | -621.4353 | 4.976 |
46 | 1.3511 | -621.4349 | 5.982 |
47 | 1.3612 | -621.4344 | 7.366 |
48 | 1.3712 | -621.4337 | 9.080 |
49 | 1.3812 | -621.4330 | 11.087 |
50 | 1.3912 | -621.4321 | 13.330 |
51 | 1.4013 | -621.4312 | 15.839 |
52 | 1.4113 | -621.4301 | 18.575 |
53 | 1.4213 | -621.4290 | 21.511 |
54 | 1.4313 | -621.4278 | 24.560 |
55 | 1.4414 | -621.4266 | 27.820 |
56 | 1.4514 | -621.4253 | 31.244 |
57 | 1.4614 | -621.4240 | 34.701 |
58 | 1.4714 | -621.4226 | 38.327 |
59 | 1.4815 | -621.4212 | 42.013 |
60 | 1.4915 | -621.4198 | 45.754 |
61 | 1.5015 | -621.4183 | 49.595 |
62 | 1.5115 | -621.4168 | 53.435 |
63 | 1.5216 | -621.4154 | 57.351 |
64 | 1.5316 | -621.4139 | 61.233 |
65 | 1.5416 | -621.4124 | 65.170 |
66 | 1.5516 | -621.4109 | 69.021 |
67 | 1.5617 | -621.4094 | 72.934 |
68 | 1.5717 | -621.4080 | 76.737 |
69 | 1.5817 | -621.4065 | 80.580 |
70 | 1.5917 | -621.4051 | 84.177 |
71 | 1.6018 | -621.4372 | 0.000 |
72 | 1.6118 | -621.4363 | 2.302 |
73 | 1.6218 | -621.4354 | 4.641 |
74 | 1.6318 | -621.4345 | 7.011 |
75 | 1.6419 | -621.4336 | 9.405 |
76 | 1.6519 | -621.4327 | 11.818 |
77 | 1.6619 | -621.4318 | 14.245 |
78 | 1.6719 | -621.4308 | 16.683 |
79 | 1.6820 | -621.4299 | 19.127 |
80 | 1.6920 | -621.4290 | 21.574 |
81 | 1.7020 | -621.4280 | 24.021 |
82 | 1.7120 | -621.4271 | 26.425 |
83 | 1.7221 | -621.4262 | 28.861 |
84 | 1.7321 | -621.4253 | 31.294 |
85 | 1.7421 | -621.4244 | 33.715 |
86 | 1.7521 | -621.4234 | 36.123 |
87 | 1.7622 | -621.4225 | 38.485 |
88 | 1.7722 | -621.4216 | 40.858 |
89 | 1.7822 | -621.4207 | 43.215 |
90 | 1.7922 | -621.4198 | 45.552 |
91 | 1.8023 | -621.4190 | 47.845 |
92 | 1.8123 | -621.4181 | 50.134 |
93 | 1.8223 | -621.4172 | 52.400 |
94 | 1.8323 | -621.4164 | 54.640 |
95 | 1.8424 | -621.4156 | 56.835 |
96 | 1.8524 | -621.4147 | 59.018 |
97 | 1.8624 | -621.4139 | 61.174 |
98 | 1.8724 | -621.4131 | 63.285 |
99 | 1.8825 | -621.4123 | 65.379 |
100 | 1.8925 | -621.4115 | 67.442 |
101 | 1.9025 | -621.4107 | 69.474 |
102 | 1.9125 | -621.4100 | 71.456 |
103 | 1.9226 | -621.4092 | 73.420 |
104 | 1.9326 | -621.4085 | 75.353 |
105 | 1.9426 | -621.4078 | 77.250 |
106 | 1.9526 | -621.4071 | 79.098 |
107 | 1.9627 | -621.4064 | 80.925 |
108 | 1.9727 | -621.4057 | 82.719 |
109 | 1.9827 | -621.4050 | 84.478 |
110 | 1.9927 | -621.4044 | 86.185 |
111 | 2.0028 | -621.4037 | 87.868 |
112 | 2.0128 | -621.4031 | 89.519 |
113 | 2.0228 | -621.4025 | 91.135 |
114 | 2.0328 | -621.4019 | 92.700 |
115 | 2.0429 | -621.4013 | 94.242 |
116 | 2.0529 | -621.4007 | 95.754 |
117 | 2.0629 | -621.4002 | 97.231 |
118 | 2.0729 | -621.3996 | 98.653 |
119 | 2.0830 | -621.3991 | 100.056 |
120 | 2.0930 | -621.3986 | 101.426 |
121 | 2.1030 | -621.3981 | 102.737 |
122 | 2.1130 | -621.3976 | 104.030 |
123 | 2.1231 | -621.3971 | 105.297 |
124 | 2.1331 | -621.3966 | 106.532 |
125 | 2.1431 | -621.3962 | 107.706 |
126 | 2.1531 | -621.3957 | 108.869 |
127 | 2.1632 | -621.3953 | 110.002 |
128 | 2.1732 | -621.4154 | 57.168 |
129 | 2.1832 | -621.4158 | 56.246 |
130 | 2.1932 | -621.4160 | 55.555 |
131 | 2.2033 | -621.4163 | 54.741 |
132 | 2.2133 | -621.4166 | 54.025 |
133 | 2.2233 | -621.4169 | 53.306 |
134 | 2.2333 | -621.4172 | 52.601 |
135 | 2.2434 | -621.4174 | 51.906 |
136 | 2.2534 | -621.4177 | 51.226 |
137 | 2.2634 | -621.4178 | 50.928 |
138 | 2.2734 | -621.4182 | 49.905 |
139 | 2.2835 | -621.4184 | 49.254 |
140 | 2.2935 | -621.4187 | 48.632 |
141 | 2.3035 | -621.4189 | 48.012 |
142 | 2.3135 | -621.4191 | 47.398 |
143 | 2.3236 | -621.4194 | 46.811 |
144 | 2.3336 | -621.4196 | 46.229 |
145 | 2.3436 | -621.4198 | 45.653 |
146 | 2.3536 | -621.4200 | 45.102 |
147 | 2.3637 | -621.4202 | 44.619 |
148 | 2.3737 | -621.4204 | 44.033 |
149 | 2.3837 | -621.4206 | 43.521 |
150 | 2.3937 | -621.4208 | 43.055 |
151 | 2.4038 | -621.4210 | 42.518 |
152 | 2.4138 | -621.4212 | 42.041 |
153 | 2.4238 | -621.4214 | 41.588 |
154 | 2.4338 | -621.4215 | 41.104 |
155 | 2.4439 | -621.4217 | 40.661 |
156 | 2.4539 | -621.4219 | 40.243 |
157 | 2.4639 | -621.4220 | 39.789 |
158 | 2.4739 | -621.4222 | 39.379 |
159 | 2.4840 | -621.4223 | 38.996 |
160 | 2.4940 | -621.4225 | 38.570 |
161 | 2.5040 | -621.4227 | 38.191 |
162 | 2.5140 | -621.4228 | 37.789 |
163 | 2.5241 | -621.4229 | 37.467 |
164 | 2.5341 | -621.4231 | 37.070 |
165 | 2.5441 | -621.4232 | 36.731 |
166 | 2.5541 | -621.4233 | 36.414 |
167 | 2.5642 | -621.4235 | 36.065 |
168 | 2.5742 | -621.4236 | 35.753 |
169 | 2.5842 | -621.4237 | 35.450 |
170 | 2.5942 | -621.4238 | 35.130 |
171 | 2.6043 | -621.4239 | 34.842 |
172 | 2.6143 | -621.4240 | 34.549 |
173 | 2.6243 | -621.4241 | 34.278 |
174 | 2.6343 | -621.4242 | 34.020 |
175 | 2.6444 | -621.4243 | 33.749 |
176 | 2.6544 | -621.4244 | 33.500 |
177 | 2.6644 | -621.4245 | 33.265 |
178 | 2.6744 | -621.4246 | 33.016 |
179 | 2.6845 | -621.4247 | 32.789 |
180 | 2.6945 | -621.4248 | 32.576 |
181 | 2.7045 | -621.4249 | 32.347 |
182 | 2.7145 | -621.4250 | 32.140 |
183 | 2.7246 | -621.4250 | 31.947 |
184 | 2.7346 | -621.4251 | 31.737 |
185 | 2.7446 | -621.4252 | 31.549 |
186 | 2.7546 | -621.4252 | 31.374 |
187 | 2.7647 | -621.4253 | 31.182 |
188 | 2.7747 | -621.4254 | 31.012 |
189 | 2.7847 | -621.4254 | 30.856 |
190 | 2.7947 | -621.4255 | 30.707 |
191 | 2.8048 | -621.4256 | 30.562 |
192 | 2.8148 | -621.4256 | 30.421 |
193 | 2.8248 | -621.4257 | 30.237 |
194 | 2.8348 | -621.4257 | 30.103 |
195 | 2.8449 | -621.4258 | 29.980 |
196 | 2.8549 | -621.4258 | 29.861 |
197 | 2.8649 | -621.4259 | 29.702 |
198 | 2.8749 | -621.4259 | 29.587 |
199 | 2.8850 | -621.4260 | 29.482 |
200 | 2.8950 | -621.4260 | 29.380 |
201 | 2.9050 | -621.4261 | 29.238 |
202 | 2.9150 | -621.4261 | 29.139 |
203 | 2.9251 | -621.4261 | 29.050 |
204 | 2.9351 | -621.4262 | 28.927 |
205 | 2.9451 | -621.4262 | 28.839 |
206 | 2.9551 | -621.4262 | 28.748 |
207 | 2.9652 | -621.4263 | 28.659 |
208 | 2.9752 | -621.4263 | 28.574 |
209 | 2.9852 | -621.4263 | 28.493 |
210 | 2.9952 | -621.4264 | 28.415 |
211 | 3.0053 | -621.4264 | 28.340 |
212 | 3.0153 | -621.4264 | 28.269 |
213 | 3.0253 | -621.4265 | 28.200 |
214 | 3.0353 | -621.4265 | 28.134 |
215 | 3.0454 | -621.4265 | 28.070 |
216 | 3.0554 | -621.4265 | 28.009 |
217 | 3.0654 | -621.4266 | 27.951 |
218 | 3.0754 | -621.4266 | 27.895 |
219 | 3.0855 | -621.4266 | 27.842 |
220 | 3.0955 | -621.4266 | 27.791 |
221 | 3.1055 | -621.4266 | 27.743 |
222 | 3.1155 | -621.4267 | 27.696 |
223 | 3.1256 | -621.4267 | 27.652 |
224 | 3.1356 | -621.4267 | 27.610 |
225 | 3.1456 | -621.4267 | 27.570 |
226 | 3.1556 | -621.4267 | 27.532 |
227 | 3.1657 | -621.4267 | 27.496 |
228 | 3.1757 | -621.4267 | 27.462 |
229 | 3.1857 | -621.4268 | 27.429 |
230 | 3.1957 | -621.4268 | 27.399 |
231 | 3.2058 | -621.4268 | 27.370 |
232 | 3.2158 | -621.4268 | 27.343 |
233 | 3.2258 | -621.4268 | 27.317 |
234 | 3.2358 | -621.4268 | 27.293 |
235 | 3.2459 | -621.4268 | 27.270 |
236 | 3.2559 | -621.4268 | 27.249 |
237 | 3.2659 | -621.4268 | 27.229 |
238 | 3.2759 | -621.4268 | 27.211 |
239 | 3.2860 | -621.4268 | 27.194 |
240 | 3.2960 | -621.4268 | 27.178 |
241 | 3.3060 | -621.4269 | 27.163 |
242 | 3.3160 | -621.4269 | 27.155 |
243 | 3.3261 | -621.4269 | 27.147 |
244 | 3.3361 | -621.4269 | 27.139 |
245 | 3.3461 | -621.4269 | 27.131 |
246 | 3.3561 | -621.4269 | 27.124 |
247 | 3.3662 | -621.4269 | 27.117 |
248 | 3.3762 | -621.4269 | 27.111 |
249 | 3.3862 | -621.4269 | 27.105 |
250 | 3.3962 | -621.4269 | 27.100 |
251 | 3.4063 | -621.4269 | 27.095 |
252 | 3.4163 | -621.4269 | 27.091 |
253 | 3.4263 | -621.4269 | 27.087 |
254 | 3.4363 | -621.4269 | 27.085 |
255 | 3.4464 | -621.4269 | 27.082 |
256 | 3.4564 | -621.4269 | 27.081 |
257 | 3.4664 | -621.4269 | 27.080 |
258 | 3.4764 | -621.4269 | 27.080 |
259 | 3.4865 | -621.4269 | 27.080 |
260 | 3.4965 | -621.4269 | 27.074 |
261 | 3.5065 | -621.4269 | 27.070 |
262 | 3.5165 | -621.4269 | 27.068 |
263 | 3.5266 | -621.4269 | 27.068 |
264 | 3.5366 | -621.4269 | 27.069 |
265 | 3.5466 | -621.4269 | 27.071 |
266 | 3.5566 | -621.4269 | 27.074 |
267 | 3.5667 | -621.4269 | 27.077 |
268 | 3.5767 | -621.4269 | 27.081 |
269 | 3.5867 | -621.4269 | 27.086 |
270 | 3.5967 | -621.4269 | 27.090 |
271 | 3.6068 | -621.4269 | 27.096 |
272 | 3.6168 | -621.4269 | 27.108 |
273 | 3.6268 | -621.4269 | 27.096 |
274 | 3.6368 | -621.4269 | 27.105 |
275 | 3.6469 | -621.4269 | 27.098 |
276 | 3.6569 | -621.4269 | 27.108 |
277 | 3.6669 | -621.4269 | 27.103 |
278 | 3.6769 | -621.4269 | 27.114 |
279 | 3.6870 | -621.4269 | 27.110 |
280 | 3.6970 | -621.4269 | 27.121 |
281 | 3.7070 | -621.4269 | 27.118 |
282 | 3.7170 | -621.4269 | 27.130 |
283 | 3.7271 | -621.4269 | 27.127 |
284 | 3.7371 | -621.4269 | 27.139 |
285 | 3.7471 | -621.4269 | 27.136 |
286 | 3.7571 | -621.4269 | 27.148 |
287 | 3.7672 | -621.4269 | 27.146 |
288 | 3.7772 | -621.4269 | 27.158 |
289 | 3.7872 | -621.4269 | 27.157 |
290 | 3.7972 | -621.4269 | 27.169 |
291 | 3.8073 | -621.4269 | 27.167 |
292 | 3.8173 | -621.4268 | 27.179 |
293 | 3.8273 | -621.4268 | 27.178 |
294 | 3.8373 | -621.4268 | 27.190 |
295 | 3.8474 | -621.4268 | 27.189 |
296 | 3.8574 | -621.4268 | 27.201 |
297 | 3.8674 | -621.4268 | 27.200 |
298 | 3.8774 | -621.4268 | 27.212 |
299 | 3.8875 | -621.4268 | 27.211 |
300 | 3.8975 | -621.4268 | 27.214 |
301 | 3.9075 | -621.4268 | 27.221 |
302 | 3.9175 | -621.4268 | 27.226 |
303 | 3.9276 | -621.4268 | 27.232 |
304 | 3.9376 | -621.4268 | 27.237 |
305 | 3.9476 | -621.4268 | 27.242 |
306 | 3.9576 | -621.4268 | 27.247 |
307 | 3.9677 | -621.4268 | 27.252 |
308 | 3.9777 | -621.4268 | 27.256 |
309 | 3.9877 | -621.4268 | 27.261 |
310 | 3.9977 | -621.4268 | 27.266 |
311 | 4.0078 | -621.4268 | 27.240 |
312 | 4.0178 | -621.4268 | 27.246 |
313 | 4.0278 | -621.4268 | 27.256 |
314 | 4.0378 | -621.4268 | 27.266 |
315 | 4.0479 | -621.4268 | 27.274 |
316 | 4.0579 | -621.4268 | 27.256 |
317 | 4.0679 | -621.4268 | 27.263 |
318 | 4.0779 | -621.4268 | 27.274 |
319 | 4.0880 | -621.4268 | 27.266 |
320 | 4.0980 | -621.4268 | 27.273 |
321 | 4.1080 | -621.4268 | 27.284 |
322 | 4.1180 | -621.4268 | 27.277 |
323 | 4.1281 | -621.4268 | 27.284 |
324 | 4.1381 | -621.4268 | 27.283 |
325 | 4.1481 | -621.4268 | 27.291 |
326 | 4.1581 | -621.4268 | 27.290 |
327 | 4.1682 | -621.4268 | 27.298 |
328 | 4.1782 | -621.4268 | 27.299 |
329 | 4.1882 | -621.4268 | 27.307 |
330 | 4.1982 | -621.4268 | 27.309 |
331 | 4.2083 | -621.4268 | 27.317 |
332 | 4.2183 | -621.4268 | 27.319 |
333 | 4.2283 | -621.4268 | 27.328 |
334 | 4.2383 | -621.4268 | 27.330 |
335 | 4.2484 | -621.4268 | 27.339 |
336 | 4.2584 | -621.4268 | 27.341 |
337 | 4.2684 | -621.4267 | 27.461 |
338 | 4.2784 | -621.4268 | 27.354 |
339 | 4.2885 | -621.4268 | 27.374 |
340 | 4.2985 | -621.4268 | 27.368 |
341 | 4.3085 | -621.4268 | 27.379 |
342 | 4.3185 | -621.4268 | 27.409 |
343 | 4.3286 | -621.4268 | 27.390 |
344 | 4.3386 | -621.4268 | 27.402 |
345 | 4.3486 | -621.4268 | 27.398 |
346 | 4.3586 | -621.4268 | 27.409 |
347 | 4.3687 | -621.4267 | 27.663 |
348 | 4.3787 | -621.4268 | 27.414 |
349 | 4.3887 | -621.4268 | 27.428 |
350 | 4.3987 | -621.4268 | 27.425 |
351 | 4.4088 | -621.4267 | 27.435 |
352 | 4.4188 | -621.4267 | 27.483 |
353 | 4.4288 | -621.4267 | 27.445 |
354 | 4.4388 | -621.4267 | 27.455 |
355 | 4.4489 | -621.4267 | 27.450 |
356 | 4.4589 | -621.4267 | 27.528 |
357 | 4.4689 | -621.4267 | 27.462 |
358 | 4.4789 | -621.4267 | 27.473 |
359 | 4.4890 | -621.4267 | 27.470 |
360 | 4.4990 | -621.4267 | 27.480 |
361 | 4.5090 | -621.4267 | 27.478 |
362 | 4.5190 | -621.4267 | 27.488 |
363 | 4.5291 | -621.4267 | 27.486 |
364 | 4.5391 | -621.4267 | 27.496 |
365 | 4.5491 | -621.4267 | 27.494 |
366 | 4.5591 | -621.4267 | 27.504 |
367 | 4.5692 | -621.4267 | 27.502 |
368 | 4.5792 | -621.4267 | 27.511 |
369 | 4.5892 | -621.4267 | 27.505 |
370 | 4.5992 | -621.4267 | 27.517 |
371 | 4.6093 | -621.4267 | 27.512 |
372 | 4.6193 | -621.4267 | 27.519 |
373 | 4.6293 | -621.4267 | 27.546 |
374 | 4.6393 | -621.4267 | 27.523 |
375 | 4.6494 | -621.4267 | 27.531 |
376 | 4.6594 | -621.4267 | 27.566 |
377 | 4.6694 | -621.4267 | 27.533 |
378 | 4.6794 | -621.4267 | 27.541 |
379 | 4.6895 | -621.4267 | 27.592 |
380 | 4.6995 | -621.4267 | 27.542 |
381 | 4.7095 | -621.4267 | 27.550 |
382 | 4.7195 | -621.4267 | 27.540 |
383 | 4.7296 | -621.4267 | 27.579 |
384 | 4.7396 | -621.4267 | 27.546 |
385 | 4.7496 | -621.4267 | 27.554 |
386 | 4.7596 | -621.4267 | 27.605 |
387 | 4.7697 | -621.4267 | 27.556 |
388 | 4.7797 | -621.4267 | 27.563 |
389 | 4.7897 | -621.4267 | 27.554 |
390 | 4.7997 | -621.4267 | 27.605 |
391 | 4.8098 | -621.4267 | 27.560 |
392 | 4.8198 | -621.4267 | 27.567 |
393 | 4.8298 | -621.4267 | 27.560 |
394 | 4.8398 | -621.4267 | 27.558 |
395 | 4.8499 | -621.4267 | 27.591 |
396 | 4.8599 | -621.4267 | 27.564 |
397 | 4.8699 | -621.4267 | 27.571 |
398 | 4.8799 | -621.4267 | 27.607 |
399 | 4.8900 | -621.4267 | 27.573 |
400 | 4.9000 | -621.4267 | 27.580 |