Table 3 Spectroscopic parameters of the Λ–S states of TlBr+ cation.
From: A theoretical investigation of spectroscopy properties and transition properties of TlBr+ cation
Λ–S states | Re/Å | ωe/cm−1 | ωeχe/cm−1 | Be/cm−1 | De/eV | Te/cm−1 | Main configurations at the respective Re (%) |
|---|---|---|---|---|---|---|---|
X2Π | 3.4344 | 55.72 | 0.3888 | 0.0251 | 0.2460 | 0 | 90.2(A) |
A2Σ+ | 3.1270 | 19.13 | − 0.0517 | 0.0302 | 0.0386 | 1909.67 | 50.8(B) + 39.0(C) |
B2Σ+ | 2.7410 | 218.91 | 0.3693 | 0.0394 | 2.5972 | 32,540.31 | 10.9(B) + 49.5(C) + 17.8(D) + 7.8(E) |
a4Σ+ | 2.8000 | 148.46 | 0.4321 | 0.0378 | 1.3264 | 42,801.61 | 89.7(D) |
b4Δ | 2.8320 | 142.33 | 0.4600 | 0.0369 | 1.2204 | 43,656.83 | 90.0(D) |
14Σ− | 2.8610 | 136.92 | 0.4617 | 0.0362 | 1.1395 | 44,305.69 | 89.8(D) |
22Π | 2.5871 | 187.72 | 1.2733 | 0.0440 | 1.0743 | 44,853.85 | 72.3(F) + 15.7(G) + 2.7(H) |
12Δ | 2.8594 | 134.83 | 0.5266 | 0.0362 | 0.9843 | 45,548.88 | 87.2(D) + 3.8(I) |
12Σ− | 2.8672 | 132.62 | 0.5299 | 0.0360 | 0.9449 | 45,874.29 | 87.2(D) + 3.8(I) |
14Π | 3.4390 | 85.52 | 0.3575 | 0.0250 | 0.6060 | 48,638.14 | 85.2(J) + 3.9(K) |
24Σ− | 4.2557 | 130.96 | 3.2102 | 0.0163 | 0.4063 | 51,028.79 | 80.4(L) |
22Σ− | 4.2110 | 107.1696 | 2.6097 | 0.0167 | 0.3335 | 51,613.95 | 87.8(L) |
32Π | 3.5027 | 98.0475 | 1.1102 | 0.0241 | 0.3152 | 51,685.37 | 80.8(J) + 3.8(F) + 2.1(G) |
