Table A.1
Spectroscopic constants of 2Σ+ and 2Δ.
| State | Ref. | Re/a.u. | De/eV | ωe/cm−1 | ωeχe/cm−1 | Be/cm–1 | αe/cm–1 | Te/cm–1 |
|---|---|---|---|---|---|---|---|---|
| X2Σ+ | I | 3.268 | 1.366 | 1487.7 | 28.8 | 5.81 | 0.17 | - |
| II | 3.294 | 1.431 | 1500.9 | 25.9 | 5.89 | 0.16 | - | |
| III | 3.293 | 1.385 | 1484.4 | 33.1 | 6.03 | 0.17 | - | |
| IV | 3.250 | 1.361 | 1453.6 | 29.4 | - | - | - | |
| V | 3.290 | 1.434 | 1485.6 | 28.9 | - | - | - | |
| VI | 3.290 | 1.427 | 1491.6 | 31.0 | - | - | - | |
| VII | 3.276 | 1.364 | 1510.0 | 31.8 | - | - | - | |
| VIII | 3.296 | - | 1486.6 | 30.5 | 5.72 | - | - | |
| Exp.a | 3.268 | 1.376 | 1495.2 | 31.0 | 6.19 | 0.19 | - | |
| Exp.b | 3.269 | 1.376 | 1492.7 | 31.8 | - | - | - | |
| B′2Σ+ | I | 4.900 | 1.309 | 828.1 | 12.2 | 2.64 | 0.02 | 22381(Te)/22057(T0) |
| II | 4.936 | 1.267 | 818.4 | 10.2 | 2.62 | 0.01 | 22218(T0) | |
| III | 4.595 | 1.246 | 818.6 | 13.1 | 2.53 | 0.01 | 21705(T0) | |
| IV | 4.894 | 1.312 | 831.4 | 12.3 | - | - | 22051 | |
| V | 4.978 | 1.271 | 816.7 | 12.1 | - | - | 22250 | |
| VI | 4.979 | 1.268 | 816.7 | 11.7 | - | - | 22214 | |
| VII | 4.915 | 1.292 | 835.0 | 12.2 | - | - | 22259 | |
| VIII | 4.969 | - | 812.3 | - | 2.51 | - | 22174 | |
| Exp.a | 4.908 | 1.390 | 828.0 | 11.6 | 2.59 | - | 22410 | |
| Exp.b | 4.902 | 1.309 | 829.5 | 11.4 | - | - | 22082(T0) | |
| E2Σ+ | I | 3.161 | 1.317 | 1621.4 | 50.0 | 6.23 | 0.24 | 35540 |
| II | 3.192 | 1.343 | 1587.1 | 50.6 | 6.27 | 0.25 | 35181(T0) | |
| IV | 3.155 | 1.288 | 1498.4 | 50.3 | - | - | 35401 | |
| V | 3.186 | 1.342 | 1556.3 | 45.8 | - | - | 35187 | |
| VII | 3.169 | 1.353 | 1441.0 | 48.2 | - | - | 35308 | |
| VIII | 3.250 | - | 1763.1 | 51.4 | 5.86 | - | 40454 | |
| Exp.a | 3.156 | 1.351 | 1444.8 | - | 6.23 | 0.30 | 35568 | |
| 42Σ+ | II | 3.384 | 1.719 | 1661.9 | 29.5 | 5.58 | 0.08 | 37987(T0) |
| IV | 3.269 | 1.651 | 1722.1 | 47.9 | - | - | 38106 | |
| V | 3.350 | 1.736 | 1751.1 | 49.5 | - | - | 38017 | |
| VII | 3.303 | 1.674 | 1689.0 | 46.2 | - | - | 38387 | |
| VIII | 3.382 | - | - | - | 0.57 | - | 38485 | |
| 52Σ+ | II | 3.274 | 1.359 | 1625.8 | 19.0 | 5.96 | 0.06 | 42815(T0) |
| IV | 3.193 | 1.364 | 1631.2 | 29.1 | - | - | 43138 | |
| V | 3.224 | 1.439 | 1597.4 | 29.0 | - | - | 42742 | |
| VII | 3.208 | 1.415 | 1578.0 | 29.8 | - | - | 43034 | |
| VIII | 3.325 | - | 1468.0 | - | 5.62 | - | 46561 | |
| 12Δ | II | 3.170 | 1.686 | 1663.1 | 28.6 | 6.36 | 0.17 | 44073(T0) |
| IV | 3.099 | 1.817 | 1633.0 | 30.0 | - | - | 42790 | |
| V | 3.167 | 1.681 | 1649.7 | 29.7 | - | - | 44253 | |
| VII | 3.153 | 1.633 | 1701.0 | 31.2 | - | - | 43689 | |
| VIII | 3.307 | - | 1260.5 | - | 5.56 | - | 58211 | |
Notes. I: CV-MRCI; II: NCV-MRCI; III: Saxon et al. (1978); IV: Mestdagh et al. (2009); V: Guitou et al. (2010); VI: Mostafanejad & Shayesteh (2012); VII: Chattopadhyaya (2016); VIII: El-Kork et al. (2018); Exp.a: Huber & Herzberg (1979); Exp.b: Shayesteh et al. (2004, 2007); Shayesteh & Bernath(2011).
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