Collisional rate coefficients of SiH(X) open-shell molecule induced by its collision with He()

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• 作者：T. Tchakoua^a ; ^b ; ^{tchaktheo@yahoo.fr} ; ^{t.tchakoua@nrp.cm} ; M. Nsangou^c ; ^{mnsangou@yahoo.com} ; O. Motapon^b ; ^d
• 关键词：Open-shell ; Potential energy surface ; Inelastic rotational collision ; Cross sections ; Close-coupling ; Rccsd(t)
• 刊名：Chemical Physics Letters
• 出版年：2017
• 出版时间：16 January 2017
• 年：2017
• 卷：668
• 期：Complete
• 页码：23-28
• 全文大小：1216 K
• 卷排序：668

文摘

The 2D-PESs for SiH(2A′)-He and SiH(2A″)-He have been computed at the RCCSD(T)/cc-pVQ-F12 level. The depths of the global minima on both PESs are −84.7 and −11.6 cm−1 respectively for SiH(2A″)-He and SiH(2A′)-He. The rotational cross sections and collisional rate coefficients have been derived. Our calculations show a propensity rule that favors ΔJ = 2 transitions, for parity conserving. These calculations also show, for parity breaking, a propensity rule that favors ΔJ = 1 transitions.