Study on the Potentials of the NaH D1Σ+ and the NaD C1Σ+ States

Abstract

In this work the experimental data of the NaH D1Σ+ state and the NaD C1Σ+ are reanalyzed For the D1Σ+ state the experimental works done by Yang Chiang and Hsiao are recalibrated by replacing the original intermediate A1Σ+ state with the latest published values and recalibrating the probing laser to calculate the absolute energy; this method diminishes the deviation among the different experimental works By exploiting the recalibrated experimental signals and the potential energy curve of the theoretical ab initio calculation [ Can J Phys 87 543 (2009)] the vibrational quantum numbers and the corresponding rovibrational energies are indicated Moreover through the slight deformation of the theoretical potential curve the new potential energy curve that accords better with the experimental data is presented For the NaD C1Σ+ state experimental works performed by Lin and Cheng are reanalyzed By recalibrating the NaD A1Σ+ intermediate state the recalibrated experimental signals of the C1Σ+ state fits well with the isotopically shifted potential curve of the NaH C1Σ+ state [ J Chem Phys 148 114301 (2018) ] so these signals are applied to derive the RKR potential energy curve below the double-well region Besides by slightly deforming the potential energy curve of the double-well NaH C1Σ+ state the potential energy curve that accords well with the experimental data of the C1Σ+ state is proposed

Date of Award	2019
Original language	English
Supervisor	Thou-Jen Whang (Supervisor)