Bell Kailey M, Fortenberry Ryan C
Department of Chemistry and Biochemistry, University of Mississippi, University, MS 38677, USA.
Molecules. 2025 Apr 8;30(8):1650. doi: 10.3390/molecules30081650.
The reaction of SH + MgH is shown in this quantum chemical study to be an energetically downhill pathway leading to the astronomically known MgS molecule as well as H. Hence, the formation of MgS in the gas phase is now shown to be a possible contributor to this diatomic molecule's observed astronomical abundance. Similarly, MgO can form through a related process with OH + MgH, but the energy costs are higher, implying that MgH could be consumed in reactions with SH faster than those with OH. Hence, MgS may be more abundant than MgO as a result in line with current astronomical observations. Additionally, further additions of MgS/MgO can lead to the dimers of these molecules, indicating that the formation of nanoclusters is possible. These structures could be the building blocks for larger dust grains and mineral-based materials that populate protoplanetary disks and, ultimately, lead to rocky bodies.
该量子化学研究表明，SH与MgH的反应是一条能量下降的途径，会生成天文学中已知的MgS分子以及H。因此，现在表明气相中MgS的形成可能是导致该双原子分子在天文学中观测到的丰度的一个因素。同样，MgO可以通过与OH + MgH的相关过程形成，但能量成本更高，这意味着MgH在与SH的反应中比与OH的反应中消耗得更快。因此，结果可能是MgS比MgO更丰富，这与当前的天文学观测结果一致。此外，MgS/MgO的进一步添加会导致这些分子的二聚体，表明纳米团簇的形成是可能的。这些结构可能是构成原行星盘中更大尘埃颗粒和矿物基材料的基石，并最终形成岩石天体。
