The Rotational Analysis of the A2Πr–X2Σ+ Band System of MgBr

The X2Πi, A2Δi, and B2Σ+ Low-Lying States of NiCl: Laser-Induced Fluorescence and Fourier Transform Emission Experiments

“…Unfortunately it has not been possible to determine any fine structure parameter because of the lack of high J -value rotational lines. The constants of the X 2 3/2 state are very well known (1,9), so a simulated set of lines of the R-branch located at 22 364 cm (6 ). As noted in Section III, a 2 i electronic state should exhibit a spinorbit splitting equal to 2ξ = 550 cm −1 , which is in agreement with the experimental value (459 cm −1 ).…”

“…In the case of NiCl, as for NiF, the 2 + , 2 i , and 2 i states corresponding to the 3dσ −1 , 3dπ −1 , and 3dδ −1 electron holes are expected to be low-lying in the energy level diagram. In previous papers (1,2), some of the spin components associated with these three terms have been identified (see Fig. 1 …”

“…In two recent papers (1,2) devoted to the analysis of the visible spectrum of NiCl, we demonstrated the complementarity of low-resolution laser-induced dispersed fluorescence experiments and Fourier transform spectroscopy. NiCl is similar to the isovalent molecule NiF (3), so three low-lying electronic states ( 2 i , 2 i , and 2 + ) are expected in the first 2 000 cm −1 above the X 2 3/2 ground state.…”

“…It appears that the construction of a credible energy level diagram can be carried out by observation of dispersed laser-induced fluorescence. Such an energy level diagram is a useful starting point to study bands recorded at high resolution either by (time-consuming) laser excitation spectroscopy (5) or by (time-saving) Fourier transform spectroscopy (1,2).…”

Ab initio configuration-interaction study of the ground and low-lying electronic states of NiI

“…Transition-metal monohalides are important model systems for understanding the role of the d electrons in chemical bonding. 12 Knowledge of electronic structure of the ground and the excited states for NiF [13][14][15][16][17][18][19][20][21][22] and NiCl, [23][24][25][26][27][28][29][30] has been obtained through years of hard work of many workers, however, for the latter two nickel monohalides, namely, NiBr and NiI, only limited spectroscopic information is available. Recently Leung et al 31 using high-resolution laser spectroscopy, identified unambiguously the ground and three lowlying electronic states for NiBr.…”