论文标题
s $^ + $（$^4 $ s） + sih $ _ {2} $（$^1 $ a $ _1 $）反应：朝着星际SIS的合成
The S$^+$($^4$S) + SiH$_{2}$($^1$A$_1$) Reaction: Toward the Synthesis of Interstellar SiS
论文作者
论文摘要
我们已经对S $^+$（$^4 $ s）+sih $ _ {2} $（$^1 $ a $ _1 $）进行了理论研究，这是HSIS $^+$和Sish $^+$ cations的可能形成路线，这些路线据称是Interstellar Silicon Silicon Silicon Sulfide的前体。电子结构计算使我们能够确定系统的主要反应途径。该反应有两个放热通道，导致异构物种$^3 $ HSIS $^{+} $和$^3 $ sish $^{+} $与H原子一起形成。该反应的特征不是入口屏障，因此，在星际云的非常低的温度条件下，它也很快。由于总体势能表面的自旋多重，这两个离子以其第一个电子激发态形成。 In addition, following the suggestion that neutral species are formed by proton transfer of protonated cations to ammonia, we have derived the potential energy surface for the reactions $^3$HSiS$^{+}$/$^3$SiSH$^{+}$ + NH$_{3}$($^{1}$A$_1$).
We have performed a theoretical investigation of the S$^+$($^4$S) + SiH$_{2}$($^1$A$_1$) reaction, a possible formation route of the HSiS$^+$ and SiSH$^+$ cations that are alleged to be precursors of interstellar silicon sulfide, SiS. Electronic structure calculations allowed us to identify the main reaction pathways for the systems. The reaction has two exothermic channels leading to the isomeric species $^3$HSiS$^{+}$ and $^3$SiSH$^{+}$ formed in conjunction with H atoms. The reaction is not characterized by an entrance barrier and, therefore, it is believed to be fast also under the very low temperature conditions of interstellar clouds. The two ions are formed in their first electronically excited state because of the spin multiplicity of the overall potential energy surface. In addition, following the suggestion that neutral species are formed by proton transfer of protonated cations to ammonia, we have derived the potential energy surface for the reactions $^3$HSiS$^{+}$/$^3$SiSH$^{+}$ + NH$_{3}$($^{1}$A$_1$).
