Reanalysis and extension of the MnH A7Π-X7Σ+ (0, 0) band: Fine structure and hyperfine-induced rotational branches

Molecules in high spin states II: the pure rotational spectrum of MnF (X7Σ+)

“…Due to the highly convoluted nature of the fine and hyperfine structure within each rotational transition of MnF, the spectral analysis was conducted in several stages. First, five clearly resolved features appearing on the high frequency side of the rotational transitions in the v ¼ 0 level were fit to obtain preliminary values of B; D, the spin-spin constant k, the spin-rotation constant c, and the Mn hyperfine constants, b F and c. From this initial fit, c was found to have a positive value and k a negative one, consistent with the signs of those constants obtained for MnH [7][8][9], lending some legitimacy to the analysis. Based on these preliminary parameters, the complete MnF spectrum was then repredicted.…”

“…1 hyperfine splittings are expected for the F 1 : J ¼ N þ 3 and F 7 :J ¼ N À 3 spin components [9], which are at the lowest and highest frequency end of a given transition.) Other individual transitions are also discernable midway through the morass of lines.…”

“…X 7 R þ transition of this radical have necessitated a detailed analysis, which has been additionally complicated by the presence of the two nuclear spins of 55 Mn ðI ¼ 5=2Þ and 1 H ðI ¼ 1=2Þ [7,8]. The hyperfine Chemical Physics Letters 380 (2003) 632-646 www.elsevier.com/locate/cplett interactions in MnH have in fact been found to be so substantial that they cause mixing of the seven spin components, destroying the ÔgoodnessÕ of the J quantum number [9]. Pure rotational spectra have also been recorded for MnO [10] and MnS [11], as well, in their X 6 R þ ground states.…”

“…The element has a 4s 2 3d 5 electron configuration and hence a half-filled 3d shell. Therefore, extremely high multiplicities and orbital angular momentum values can be generated in manganese compounds, as evidenced by even the simplest of these species, MnH [7][8][9]. Measurements of the A 7 P !…”

The Electronic Transition Moment Function for the B3Π–X3Δ System of TiO

“…Consequently, it was verified that all the features could be assigned to the vibronic bands associated with v = 0 in the B e These values are calculated by Eqs. [5] or [7].…”