Kaiser R I, Ochsenfeld C, Head-Gordon M, Lee Y T
Department of Chemistry, University of California, Berkeley and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA.
Science. 1998 Feb 20;279(5354):1181-4. doi: 10.1126/science.279.5354.1181.
The reaction of hydrogen sulfide with ground-state atomic carbon was examined with crossed molecular beams experiments and ab initio calculations. The thiohydroxycarbene molecule, HCSH, was the reactive intermediate, which fragmented into atomic hydrogen and the thioformyl radical HCS. This finding may account for the unassigned HCS source and an unidentified HCSH radical needed to match observed CS abundances from the collision of comet Shoemaker-Levy 9 into Jupiter. In the shocked jovian atmosphere, HCS could further decompose to H and CS, and CS could react with SH and OH to yield the observed CS2 and COS.
通过交叉分子束实验和从头算计算研究了硫化氢与基态原子碳的反应。硫代羟基卡宾分子HCSH是反应中间体，它分解为氢原子和硫代甲酰基自由基HCS。这一发现可能解释了未确定的HCS来源以及一个未识别的HCSH自由基，该自由基是使苏梅克-列维9号彗星与木星碰撞所观测到的CS丰度相匹配所必需的。在受到冲击的木星大气中，HCS可能进一步分解为H和CS，并且CS可能与SH和OH反应生成观测到的CS2和COS。
