A study of the B¹Π_u→ X¹Σ⁺_gsystem of Na₂

Abstract

We report here an analysis of the B1Πu → X1Σ+g band system of the sodium dimer. The body of data includes laser-induced emission of Na2 consisting of discrete molecular fluorescence (107 fluorescence series) excited by visible lines from an argon ion laser and rotational relaxation lines for strong transitions. In order to enlarge the data set of transitions within this band system, which cover both X1Σ+g and B1Πu states up to dissociation, the results were combined with spectroscopic experimental data available in the literature. The obtained Dunham coefficients were used to derive the corresponding molecular potentials using basically the RKR method. Hybrid potential energy curves for the X1Σ+g and B1Πu states have been checked by solving numerically the radial Schrödinger equation observing a good agreement with the experimental data.

Potential Energy Curves in the CASSCF/CASPT2 and FS-MR-CC Methods: The Role of Relativistic Effects

“… a Experimental data from ref . b Experimental data from ref and . c Experimental data from ref . d Experimental data from ref and . e Experimental data from ref . f FS-MR-CC from ref . …”

Observation of the 7Πg State of Na2 by Optical−Optical Double Resonance Spectroscopy

“…The experiment was carried out to record the nine sets of OODR spectroscopic data of the intensities versus wavenumbers of the excitation fluorescence signals for the rovibrational transition processes, X 1 ∑ g + f B 1 Π u f 1 ∑ g + , 1 Π g , 1 ∆ g , guided by the selection rules ∆Λ ) 0, (1; ∆S ) 0; ∆J ) 0, (1, and g T u, 20 corresponding to each single line of nine Ar + pump laser lines. The detailed studies of Kusch et al 17 and Camacho et al 18 provided extensive information about the transitions from the X 1 ∑ g + state to the B 1 Π u state. From our OODR recorded spectra, two kinds of many obvious vibrational progressions of the patterns consisting of (P, Q, R) and (P, R) lines of different electronic states have been identified.…”

Vibrational Spectrum, Caloric Curve, Low-Temperature Heat Capacity, and Debye Temperature of Sodium Clusters: The Na139+ Case

“…These approximations were implemented within the SIESTA code . The reliability of this level of theory was verified by comparing the calculated values of the equilibrium distance ( r e = 2.96 Å) and vibrational frequency (ω e = 168 cm –1 ) of the sodium dimer Na 2 , with the corresponding experimental values , ( r e = 3.079 Å and ω e = 159 cm –1 ). Additional tests to validate the DFT methodology used in this work were also performed by calculating structural and vibrational properties of the Na 4 and Na 8 clusters.…”