2015
DOI: 10.1016/j.jqsrt.2015.04.004
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Electronic structure with dipole moment calculation of the low-lying electronic states of the molecule ZnI

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Cited by 8 publications
(4 citation statements)
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“…1 and 2. By comparing the trend of the PECs of the low lying electronic states of ZnF, ZnCl and ZnI molecules [17][18][19] to the investigated curves of ZnBr, we notice similar behavior concerning the different doublet and quartet states. Among those studied, 13 states are bound, i.e., they have a defined minimum at the equilibrium internuclear distance R e .…”
Section: Resultsmentioning
confidence: 83%
See 1 more Smart Citation
“…1 and 2. By comparing the trend of the PECs of the low lying electronic states of ZnF, ZnCl and ZnI molecules [17][18][19] to the investigated curves of ZnBr, we notice similar behavior concerning the different doublet and quartet states. Among those studied, 13 states are bound, i.e., they have a defined minimum at the equilibrium internuclear distance R e .…”
Section: Resultsmentioning
confidence: 83%
“…1. The experimental observation [5,19] of the analogous B 2 R + -X 2 R + transition of ZnF, ZnCl and ZnI could stimulate further experiments concerning the metal monobromide. The interaction between the adiabatic PECs of the two lowest 2 P states, correlated with the first and second asymptote respectively, results deep minimum for the (2) 2 P at 2336 Å due to an avoided crossing near 2.190 Å The spectroscopic constants determined experimentally for the (2) 2 PX 2 R + transition [2,3,6] are compared to the values of T e = 31,832 cm À1 and x e = 286.4 cm À1 calculated for the upper state.…”
Section: Resultsmentioning
confidence: 84%
“…The analogy between the transitions of ZnI and CdI [8][9][10][11] and those that are demonstrated on the bluegreen lasing on the transition between B 2 Σ + -X 2 Σ + of mercury mono-halides [12][13][14][15][16] inspired studies on the composing molecules of such laser systems. Inspired by the similarity between the valence electronic structure of cadmium monohalides and the first exploratory laser-cooled SrF diatomic 17,18 with the 3d orbitals fully occupied, we are encouraged to investigate the low-lying electronic states of cadmium monohalides.…”
Section: Introductionmentioning
confidence: 99%
“…The lack of theoretical studies on the halides and chalcogenides of transition metals motivated us to investigate the transition-metal halides in previous works. In the present research, we examine the CdSe and CdTe molecules.…”
Section: Introductionmentioning
confidence: 99%