Details

Autor(en) / Beteiligte

• Walji, Sadru-Dean
• Sentjens, Katherine M
• Le Roy, Robert J

Titel

Dissociation energies and potential energy functions for the ground X (1)Σ(+) and "avoided-crossing" A (1)Σ(+) states of NaH

Ist Teil von

• The Journal of chemical physics, 2015-01, Vol.142 (4), p.044305-044305

Ort / Verlag

United States

Erscheinungsjahr

2015

Quelle

American Institute of Physics

Beschreibungen/Notizen

• A direct-potential-fit analysis of all accessible data for the A (1)Σ(+) - X (1)Σ(+) system of NaH and NaD is used to determine analytic potential energy functions incorporating the correct theoretically predicted long-range behaviour. These potentials represent all of the data (on average) within the experimental uncertainties and yield an improved estimate for the ground-state NaH well depth of De = 15797.4 (±4.3) cm(-1), which is ∼20 cm(-1) smaller than the best previous estimate. The present analysis also yields the first empirical determination of centrifugal (non-adiabatic) and potential-energy (adiabatic) Born-Oppenheimer breakdown correction functions for this system, with the latter showing that the A-state electronic isotope shift is -1.1(±0.6) cm(-1) going from NaH to NaD.