Table A.2
Spectroscopic constants of 2Π.
| State | Ref. | Re/a.u. | De/eV | ωe/cm–1 | ωeχe/cm–1 | Be/cm-1 | αe/cm–1 | Te/cm–1 |
|---|---|---|---|---|---|---|---|---|
| A2Π | I | 3.166 | 1.713 | 1597.4 | 31.7 | 6.16 | 0.18 | 19258(Te)/19310(T0) |
| II | 3.201 | 1.681 | 1606.6 | 32.7 | 6.2 | 0.18 | 18915(T0) | |
| III | 3.210 | 1.604 | 1561.8 | 33.1 | 6.03 | 0.17 | 19278(T0) | |
| IV | 3.155 | 1.643 | 1551.3 | 32.1 | - | - | 19397 | |
| V | 3.200 | 1.687 | 1580.8 | 30.2 | - | - | 18893 | |
| VI | 3.199 | 1.676 | 1581.5 | 34.3 | - | - | 18924 | |
| VII | 3.187 | 1.687 | 1577.0 | 33.2 | - | - | 18993 | |
| VIII | 3.193 | - | 1570.6 | 32.5 | 6.03 | - | 19130 | |
| Exp.a | 3.170 | 1.760 | 1598.1 | 31.0 | 6.19 | 0.19 | 19266.8 | |
| Exp.b | 3.171 | 1.704 | 1600.3 | 31.8 | - | - | 19279(T0) | |
| C2Π | I | 3.121 | 0.492 | 1747.7 | 151.9 | 6.39 | 0.23 | 42187 |
| II | 3.199 | 0.539 | 1712.5 | 112.5 | 6.57 | 0.35 | 41617(T0) | |
| IV | 3.099 | 0.534 | 1528.5 | - | - | - | 41550 | |
| V | 3.176 | 0.543 | 1673.0 | 10.5 | - | - | 41653 | |
| VI | 3.195 | 0.631 | 1711.0 | 11.3 | - | - | 41127 | |
| VII | 3.325 | - | 1468.0 | - | 5.62 | - | 46561 | |
| Exp. | - | - | 1623.4 | - | 6.16 | 0.14 | 41164 | |
| 32Π | II | 3.221 | 1.835 | 1534.3 | 47.6 | 6.16 | 0.24 | 42917(T0) |
| IV | 3.155 | 1.812 | 1466.6 | 53.7 | - | - | 42861 | |
| V | 3.218 | 1.829 | 1467.2 | 31.0 | - | - | 43060 | |
| VII | 3.189 | 1.792 | 1484.0 | 33.2 | - | - | 42649 | |
| VIII | 3.628 | - | 1171.2 | - | 4.66 | - | 48973 | |
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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