Dunham coefficient | Approximate description | Value (cm-1) | Standard deviation* |
---|---|---|---|
Y10 | ωe | 0.51121×102 | 0.414×10-1 |
Y20 | -ωexe | -0.16448×10 | 0.110×10-1 |
Y30 | ωeye | 0.16244×10-1 | 0.115×10-2 |
Y40 | ωeze | -0.61060×10-3 | 0.412×10-4 |
Y01 | Be | 0.92866×10-1 | 0.107×10-3 |
Y11 | -αe | -0.37758×10-2 | 0.488×10-4 |
Y21 | ϒe | 0.10679×10-3 | 0.704×10-5 |
Y31 | δe | -0.96831×10-5 | 0.309×10-6 |
Y02 | -De | -0.12166×10-5 | 0.663×10-7 |
Y12 | -βe | 0.30768×10-7 | 0.180×10-7 |
Y22 | -0.21344×10-7 | 0.118×10-8 | |
Y03 | He | -0.26238×10-10 | 0.155×10-10 |
Y13 | -0.85415×10-11 | 0.196×10-11 | |
Y04 | Le | -0.17914×10-14 | 0.119×10-14 |
*Standard deviation on fit to term values = 0.061 cm-1; dissociation energy, De = 424 cm-1 = 0.0526 eV; equilibrium internuclear distance, re = 3.890 Å