The low-lying electronic states of the dications MgBr²⁺ and BaBr²⁺ are investigated at a high level of theory. Potential energy curves are constructed, and the associated spectroscopic parameters determined. BaBr²⁺ is thermodynamic stable and MgBr²⁺ metastable. The state X ²Π of BaBr²⁺ is bound (D_e) by 22.60 kcal mol^–1, with (R_e, ω_e) equal to (6.146 a₀, 123.9 cm^–1). The state A ²Σ⁺ lies higher by 5049 cm^–1 with D_e = 8.43 kcal mol^–1, ω_e = 86.9 cm^–1. For the dication MgBr²⁺, the state X ²Π has a deep well with an effective D_e (barrier height) of 51.18 kcal mol^–1, R_e = 4.500 a₀, and ω_e = 308.3 cm^–1. The first excited state (A ²Σ⁺) lies higher by 12 091 cm^–1 with D_e = 26.48 kcal mol^–1, ω_e = 236.6 cm^–1. Einstein spontaneous emission coefficients (A_v́v́́) are reported, and lifetimes estimated. New experimental results for the mass spectra of MgBr²⁺ are also provided.

MgBr ²⁺和BaBr ²⁺的低电子态在较高的理论水平上得到了研究。构造了势能曲线，并确定了相关的光谱参数。BaBr ²⁺具有热力学稳定性，MgBr ^2+具有亚稳态。状态X ² ΠBaBr的²⁺结合（d _Ë由22.60）千卡摩尔^-1，用（R _ê，ω _ë）等于（6.146一个₀，123.9厘米^-1）。状态A ^2个Σ ⁺谎言更高由5049厘米^-1与d _È= 8.43千卡摩尔^-1，ω _Ë =86.9厘米^-1。对于二价阳离子MgBr ²⁺，状态X ² Π具有深阱与有效d _Ë的51.18千卡摩尔（势垒高度）^-1，R _Ë = 4.500一个₀，ω _Ë =308.3厘米^-1。第一激发态（A ² Σ ⁺）位于更高的由12091厘米^-1与d _Ê = 26.48千卡摩尔^-1，ω _Ë =236.6厘米^-1。爱因斯坦自发发射系数（A _v́v́），并估算寿命。还提供了MgBr ²⁺质谱的新实验结果。