Gas-phase reactivity of aluminum cluster anions with ethanethiol: Carbon–sulfur bond activation

[Display omitted] •We studied the gas-phase reactivity of Al clusters with ethanethiol.•We observe size dependence of Aln- in reacting with ethanethiol.•AlnSm- dominate the reaction products indicating C–S bond activation.•An in-depth analysis on the cluster reactivity “Aln-+EtSH” is demonstrated. W...

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Bibliographic Details
Published in:Chemical physics letters 2013-12, Vol.590, p.63-68
Main Authors: Luo, Zhixun, Smith, Jordan C., Berkdemir, Cüneyt, Castleman, A.W.
Format: Article
Language:English
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Summary:[Display omitted] •We studied the gas-phase reactivity of Al clusters with ethanethiol.•We observe size dependence of Aln- in reacting with ethanethiol.•AlnSm- dominate the reaction products indicating C–S bond activation.•An in-depth analysis on the cluster reactivity “Aln-+EtSH” is demonstrated. We report a joint experimental and theoretical study of the gas-phase reactivity of Al cluster anions with ethanethiol (EtSH) in a fast-flow tube reactor. Nearly all Aln- clusters observed are reactive at the presence of sufficient EtSH molecules with minor exceptions. Sulfide species AlnSm- dominate the observed reaction products, indicating C–S bond activation of EtSH. By using DFT calculations we provide an in-depth analysis on the interesting cluster reactivity of Aln- with EtSH. It is demonstrated that the desulfurization leading to AlnSm- products is associated with the dehydrogen processes successively initiated by S–H bond cleavage and C–H bond cracking.
ISSN:0009-2614
1873-4448
DOI:10.1016/j.cplett.2013.10.074