Electronic States of Scandium Monochloride

The Hyperfine Structures of ScCl and ScF

“…Estimates of the eQq values simply using these populations in Eq. [6] with the above eQq nl0 values are also given in Table 8; they come nowhere near the experimental values, or even the trends. On the other hand, the HF calculations give field gradients from which eQq values can be obtained; although somewhat (ϳ10%) large, they are reasonable, and the trends, though exaggerated, are followed.…”

Theoretical electronic structure of the lowest-lying states of ScCl molecule below 22500cm−1

“…The configurations 3d4s 3,1 D, of Sc + carried with X À ( 1 S) give rise to the low-lying states a 3 D, A 1 D, b 3 P, B 1 P, c 3 R + and C 1 R + while the states (1) 3 U, (2) 3 D, (2) 3 P, (1) 3 R À are related to Sc + (3d 23 F) + X À . All these electronic states and some others excited states have been characterized by an extensive experimental study of the electronic structure of the ScCl molecule undertaken for few years [3][4][5][6]. The characterization of 14 electronic states situated below 22 500 cm À1 was the result of these experiments.…”

New Low-Lying Electronic States of LaF

“…The singlet-singlet systems. (2) 1 ⌺ ϩ 3X 1 ⌺ ϩ . This system, centered at 00 Ϸ 11 662 cm Ϫ1 , is the only one of this study to have already been described (5) (the upper state of the transition was then denoted A 1 ⌺ ϩ ).…”