Table 1
Spectroscopic properties (in cm−1) of the reactant and product diatomics (of reactions (2)–(5)) correlating with the global singlet and triplet PESs of C3.
| Source | Te (a) | Re | ωe | ωexe | ωeye | Be | αe | EZPE | |
|---|---|---|---|---|---|---|---|---|---|
 |
 PES |
0.0 | 2.348 | 1855.5 | 13.5624 | −01°655 | 1.8203 | 0.0214 | 924.1 |
| exp.(b) | 0.0 | 2.348 | 1855.0 | 13.5701 | −0.1275 | 1.8200 | 0.0179 | 924.1 | |
 |
 PES |
0.0 | 2.348 | 1819.5 | 13.1000 | −0.1480 | 1.7503 | 0.0210 | 906.2 |
| exp.(b,c) | 0.0 | 2.348 | 1818.9 | 13.0466 | −0.1202 | 1.7498 | 0.0169 | 906.2 | |
 |
 PES |
0.0 | 2.348 | 1782.7 | 12.5845 | −0.1400 | 1.6803 | 0.0342 | 887.9 |
| exp.(b) | 0.0 | 2.348 | 1781.8 | 12.3560 | −0.1466 | 1.6796 | 0.0157 | 887.8 | |
| 12C2(a3Πu) |  PES |
715.3 | 2.479 | 1641.3 | 11.5723 | −0.0047 | 1.6324 | 0.0177 | 819.5 |
| exp.(b) | 716.2 | 2.479 | 1641.3 | 11.6595 | 1.6323 | 0.0166 | 819.4 | ||
| 13C12C(a3Πu) |  PES |
715.3 | 2.479 | 1609.5 | 11.1471 | −0.0037 | 1.5696 | 0.0167 | 803.6 |
| exp.(b) | 716.2 | 2.479 | 1609.4 | 11.2103 | 1.5693 | 0.0156 | 803.4 | ||
| 13C2(a3Πu) |  PES |
715.3 | 2.479 | 1576.9 | 10.7539 | −0.0012 | 1.5068 | 0.0293 | 787.3 |
| exp.(b) | 716.2 | 2.479 | 1.4993 | ||||||
Notes.
(a) Energies given with respect to the corresponding ground electronic states of each isotopologue.
(b) Data from Amiot (1983), Brooke et al. (2013), Ram et al. (2014), and Chen et al. (2015).
(c) Experimental spectroscopic constants calculated from 
data and isotopic relationships (see, e.g., Ram et al. 2014).
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