Table 5 Spectroscopic parameters of the Ω states of TlBr+ cation.
From: A theoretical investigation of spectroscopy properties and transition properties of TlBr+ cation
Ω states | Re/Å | ωe/cm−1 | ωeχe/cm−1 | Be/cm−1 | De/eV | Te/cm−1 |
|---|---|---|---|---|---|---|
\(X^{2} \Pi_{3/2}\) | 3.4279 | 56.25 | 0.4125 | 0.0252 | 0.2111 | 0 |
\(A^{2} \Sigma_{1/2}^{ + }\) | 3.4420 | 44.11 | 0.3480 | 0.0250 | 0.1180 | 1092.94 |
\(X^{2} \Pi_{1/2}\) | 3.3637 | 40.19 | 0.2806 | 0.0262 | 0.1270 | 4271.35 |
\(B^{2} \Sigma_{1/2}^{ + }\) | 2.7459 | 216.68 | 0.4490 | 0.0393 | 2.0297 | 33,083.82 |
\(a^{4} \Sigma_{1/2}^{ + }\) | 2.8541 | 132.54 | 0.5200 | 0.0363 | 1.2908 | 39,777.80 |
\(b^{4} \Delta_{1/2}\) | 2.8646 | 121.57 | 0.7983 | 0.0361 | 1.1165 | 41,470.03 |
\(a^{4} \Sigma_{3/2}^{ + }\) | 2.8020 | 112.51 | − 0.6960 | 0.0376 | 1.0460 | 42,466.31 |
\(b^{4} \Delta_{3/2}\) | 2.8521 | 162.01 | 1.6267 | 0.0366 | 1.1471 | 42,521.09 |
\(1^{2} \Delta_{3/2}\) | 2.8868 | 104.35 | − 0.4902 | 0.0356 | 0.9411 | 44,182.63 |
\(b^{4} \Delta_{5/2}\) | 2.6928 | 189.74 | 3.7405 | 0.0409 | 0.9801 | 44,359.33 |
\(2^{2} \Pi_{1/2}\) | 2.8825 | 126.96 | 0.5485 | 0.0356 | 0.9111 | 44,573.60 |
\(1^{4} \Sigma_{1/2}^{ - }\) | 2.8490 | 162.19 | 1.5593 | 0.0365 | 0.8392 | 45,622.49 |
\(b^{4} \Delta_{7/2}\) | 2.8284 | 143.24 | 0.4415 | 0.0370 | 1.1592 | 46,789.81 |
\(1^{2} \Sigma_{1/2}^{ - }\) | 2.8473 | 149.95 | 0.5550 | 0.0365 | 0.6479 | 47,248.05 |
\(1^{4} \Sigma_{3/2}^{ - }\) | 2.7663 | 114.04 | − 0.3869 | 0.0387 | 0.5244 | 48,299.66 |
\(1^{2} \Delta_{5/2}\) | 2.8868 | 134.69 | 1.8643 | 0.0357 | 0.6778 | 48,954.88 |
\(1^{4} \Pi_{5/2}\) | 3.1443 | 147.43 | 1.1153 | 0.0300 | 0.6890 | 50,797.33 |
\(2^{2} \Pi_{3/2}\) | 3.3496 | 110.44 | 1.5788 | 0.0269 | 0.3792 | 51,164.60 |
\(1^{4} \Pi_{3/2}\) | 3.4092 | 98.35 | − 1.0407 | 0.0263 | 0.3760 | 51,512.99 |
\(2^{4} \Pi_{5/2}\) | 3.2455 | 143.22 | 2.5686 | 0.0281 | 0.3542 | 54,793.26 |
