title: Fully relativistic rovibrational energies and spectroscopic constants of the lowest X:(1)0(+)g, A':(1)2( u ), A:(1)1 ( u ), B':(1)0(-)u and B:(1)0(+)u states of molecular chlorine.
abstract: The main goal of this paper is to present the rovibrational energies and spectroscopic constants of the Cl(2) molecular system in the relativistic states [Formula: see text], A':(1)2(                            u                         ), A:(1)1(                            u                         ), [Formula: see text] and [Formula: see text]. More precisely, we have evaluated the Cl(2)                         ω                         (                            e                         ), ω                         (                            e                         )                         x                         (                            e                         ), ω                         (                            e                         )                         y                         (                            e                         ), α                         (                            e                         ), γ                         (                            e                         ) and B                         (                            e                         ) rovibrational spectroscopic constants using two different procedures. The first was obtained by combining the rovibrational energies, calculated through solving Schrödinger's nuclear equation and the diatomic rovibrational energy equation. The second was obtained by using the Dunham method. The calculated properties are in good agreement with available experimental data.
authors.affiliation: Instituto de Química, Universidade de Brasília, 70919-970, Brasília, DF, Brazil.
authors.forename: Daniel F S
authors.initials: DF
authors.lastname: Machado
authors.forename: Valter H C
authors.initials: VH
authors.lastname: Silva
authors.forename: Cristiano S
authors.initials: CS
authors.lastname: Esteves
authors.forename: Ricardo
authors.initials: R
authors.lastname: Gargano
authors.forename: Luiz G M
authors.initials: LG
authors.lastname: Macedo
authors.forename: Kleber C
authors.initials: KC
authors.lastname: Mundim
authors.forename: Heibbe C B
authors.initials: HC
authors.lastname: de Oliveira
mesh_terms: D002713:Chlorine / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D012399:Rotation; D013057:Spectrum Analysis; D013816:Thermodynamics; D014732:Vibration
chemical_list: D002713:Chlorine