☍ Spectroscopic constants used in the database
Select one electronic state, or choose ALL to show the full dataset.
| Electronic state | \(T_e\) \(\mathrm{cm}^{-1}\) |
\(\omega_e\) \(\mathrm{cm}^{-1}\) |
\(\omega_e x_e\) \(\mathrm{cm}^{-1}\) |
\(\omega_e y_e\) \(\mathrm{cm}^{-1}\) |
\(\omega_e z_e\) \(\mathrm{cm}^{-1}\) |
\(B_e\) \(\mathrm{cm}^{-1}\) |
\(\alpha_e\) \(\mathrm{cm}^{-1}\) |
\(\beta_e\) \(\mathrm{cm}^{-1}\) |
\(A_e\) \(\mathrm{cm}^{-1}\) |
\(\zeta_e\) \(\mathrm{cm}^{-1}\) |
\(\eta_e\) \(\mathrm{cm}^{-1}\) |
\(\gamma_e\) \(\mathrm{cm}^{-1}\) |
\(\lambda_e\) \(\mathrm{cm}^{-1}\) |
\(D_e\) \(\mathrm{cm}^{-1}\times 10^{-7}\) |
\(H_e\) \(\mathrm{cm}^{-1}\times 10^{-12}\) |
\(R_e\) Å |
\(D_0\) \(\mathrm{eV}\) |
IP \(\mathrm{eV}\) |
Reference |
| X\(^1\Sigma^+\) | 0.0 | 802.32447 | 4.8499145 | 0.0195737 | -0.00003407 | 0.552480208 | 0.0049842606 | 0.00001721536 | 10.4799896 | -0.305 | 1.6543689056 | 6.89 | 9.8 | K.-Q. Zhang, B. Guo, V. Braun, M. Dulick, P. F. Bernath, Infrared Emission spectroscopy of BF and AlF, J. Mol. Spectrosc. 170, 82-93 (1995). https://doi.org/10.1006/jmsp.1995.1058 | |||||
| a\(^3\Pi\) | 27239.4529 | 830.2807 | 4.64364 | 0.0123 | -0.0001119 | 0.557376 | 0.004798 | 0.0000258 | 47.3672 | -0.07391 | -0.000695 | -0.0003002 | 0.0922638 | 1.64708 | \(B_e, \alpha_e, \beta_e, \zeta_e, \eta_e\) , o, p, q from J. Chem. Phys. 156, 124306 (2022). http://doi.org/10.1063/5.0082601 \(A_e, \lambda_e\) from Molecular Physics; 119; 1 (2021). http://doi.org/10.1080/00268976.2020.1810351 | ||||
| A\(^1\Pi\) | 43949.2 | 803.94 | 5.99 | -0.05 | 0.5564 | 0.00534 | -0.000043 | 1.6485 | R.F. Barrow et al., Physica Scripta. Vol. 10, 86-102, 1974. http://doi.org/10.1088/0031-8949/10/1-2/008 q_e from Phys. Rev. A 100, 052513 (2019). http://doi.org/10.1103/PhysRevA.100.052513 | ||||||||||
| b\(^3\Sigma^+\) | 44804.5692 | 786.37 | 7.64 | -0.009 | 0.5628 | 0.00651 | -0.00002 | -0.0003002 | 0.0306545 | 1.644 | Physica Sripta 10; 86 (1974). http://doi.org/10.1088/0031-8949/10/1-2/008 \(T_e, LambdaSS, \gamma\) from Molecular Physics; 119; 1 (2021). http://doi.org/10.1080/00268976.2020.1810351 | ||||||||
| B\(^1\Sigma^+\) | 54251.0 | 866.6 | 7.45 | 0.579672 | 0.005595 | 10.49 | 1.6095 | Physica Sripta 10, 86 (1974). http://doi.org/10.1088/0031-8949/10/1-2/008 | |||||||||||
| c\(^3\Sigma^+\) | 54957.613 | 933.573 | 4.79689 | 0.588798 | 0.00448794 | 13.2757 | 1.60254 | Physica Sripta 10, 86 (1974). http://doi.org/10.1088/0031-8949/10/1-2/008 | |||||||||||
| C\(^1\Sigma^+\) | 57687.99 | 938.22 | 5.09 | -0.017 | 0.58992 | 0.00458 | -0.000011 | 1.60101 | Physica Sripta 10, 86 (1974). http://doi.org/10.1088/0031-8949/10/1-2/008 | ||||||||||
| D\(^1\Delta\) | 61229.52 | 901.05 | 6.11 | 0.58297 | 0.00502 | 1.61053 | Physica Sripta 10, 86 (1974). http://doi.org/10.1088/0031-8949/10/1-2/008 | ||||||||||||
| d\(^3\Pi\) | 62434.6 | 944.5 | 5.21 | 0.5931 | 0.005 | 5.73 | -0.024 | 1.594 | J. Phys. Chem. A 128, 2752 (2024). http://doi.org/10.1021/acs.jpca.4c00611 | ||||||||||
| e\(^3\Delta\) | 63204.5 | 941.3 | 6.57 | 0.5911 | 0.0045 | -0.34 | 0.11 | 1.6021 | J. Phys. Chem. A 128, 2752 (2024). http://doi.org/10.1021/acs.jpca.4c00611 | ||||||||||
| E\(^1\Pi\) | 63689.43 | 923.02 | 5.28 | 0.58712 | 0.00465 | 9.7 | 1.60486 | Physica Sripta 10, 86 (1974). http://doi.org/10.1088/0031-8949/10/1-2/008 | |||||||||||
| f\(^3\Sigma^+\) | 65017.1 | 945.0 | 5.84 | 0.599 | 0.006 | 1.5888 | J. Phys. Chem. A 128, 2752 (2024). http://doi.org/10.1021/acs.jpca.4c00611 | ||||||||||||
| F\(^1\Pi\) | 65795.57 | 955.33 | 5.38 | 0.59281 | 0.00459 | 1.5971 | Physica Sripta 10, 86 (1974). http://doi.org/10.1088/0031-8949/10/1-2/008 | ||||||||||||
| G\(^1\Sigma^+\) | 66805.74 | 931.46 | 0.60496 | 0.00778 | 1.5811 | Physica Sripta 10, 86 (1974). http://doi.org/10.1088/0031-8949/10/1-2/008 | |||||||||||||
| H\(^1\Sigma^+\) | 67796.97 | 0.59214 | 1.598 | Physica Sripta 10, 86 (1974). http://doi.org/10.1088/0031-8949/10/1-2/008 |
The energy scale is relative to the minimum of the electronic ground state X 1Σ+ potential.
For more information about the spectroscopic constants, please refer to Information.