Single and multiple collision chemiluminescent studies of the SiOCS and GeOCS reaction. A study of the SiS and GeS a 3Σ+—X1Σ+ and SiS b3Π — X1Σ+ intercombination systems and the nature of SiS* collisional quenching

Green, Gary J.; Gole, James L.

doi:10.1016/0301-0104(80)85085-3

Cited by 21 publications

(1 citation statement)

References 39 publications

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“…[28] The first excited state is 1 3 Σ + , which is mainly described by a 7σ 2 8σ 2 3π 3 9σ 2 4π 1 configuration corresponding to 3π →4π excitation relative to that of the X 1 Σ + . The T e , ω e and ω e x e are computed to be 24747, 508 and 2.0062 cm −1 , which are consistent with the experimental data [32] of 24572, 506 and 2.3 cm −1 . Our calculated R e of 1 3 Σ + is 2.1569 Å, which is 0.0381 Å smaller than the configuration interaction result of 2.1950 Å.…”

Section: Electronic Structure and Spectroscopysupporting

confidence: 83%

Spectroscopy and molecule opacity investigation on excited states of SiS

Li 李,

Lv 吕,

Sang 桑

et al. 2024

Chinese Phys. B

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The SiS molecule, which plays a significant part in space, has attracted significant attention for a long time. Due to complex interactions among low-lying electronic states, the precise information of molecular structure of SiS is still limited. To obtain the accurate structure of excited states, the high-precision multireference configuration interaction (MRCI) method is utilized to calculate the potential energy curves (PECs) of the 18 Λ-S states corresponding to the lowest dissociation limit of SiS. The core-valence correlation (CV) effect, Davidson’s correction and scalar relativistic effect are aslo included to guarantee the precision in MRCI calculation. Based on the calculated PECs, the spectroscopic constants of quasi-bound and bound electronic states are calculated, which are in accordance with previous experimental results. The transition dipole moments (TDMs) and dipole moments (DMs) are determined by MRCI method, and the abrupt variation of the DMs for the 15Σ+ and 25Σ+ states at the avoided crossing point are attributed to the variation of electronic configuration. The opacity of SiS at a pressure of 100 atms with a series of temperatures is provided. As temperature increases, the growing population of the excited states makes the blur of band boundaries.

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Section: Electronic Structure and Spectroscopysupporting

confidence: 83%