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慢电子对有机金属化合物的能量选择性分解:以氯(二甲基硫醚)金(I)为例。

Energy-Selective Decomposition of Organometallic Compounds by Slow Electrons: The Case of Chloro(dimethyl sulfide)gold(I).

作者信息

Kopyra Janina, Rabilloud Franck, Wierzbicka Paulina, Abdoul-Carime Hassan

机构信息

Faculty of Exact and Natural Sciences, Siedlce University of Natural Sciences and Humanities, 3 Maja 54, 08-110 Siedlce, Poland.

Universite de Lyon, Université Claude Bernard Lyon 1, CNRS, Institut Lumière Matière, UMR5306, F-69622 Villeurbanne, France.

出版信息

J Phys Chem A. 2021 Feb 4;125(4):966-972. doi: 10.1021/acs.jpca.0c09988. Epub 2021 Jan 25.

Abstract

Gold-containing compounds offer many applications in nanoscale materials science, and electron-beam methods are versatile for shaping nanostructures. In this study, we report the energy-selective fragmentation of chloro(dimethyl sulfide)gold(I) (ClAuS(CH)) induced by slow electrons. We observe the resonant formation of four fragment anions, namely [Cl], [S], [CHS], and [ClAuH···SH], which are generated in the energy range of 0-9 eV. The predominant fragment anion is formed below 1 eV from the cleavage of a single Au-Cl bond to produce the [Cl] anion. The resonant states and the energetics of the fragmentation are investigated by DFT methods. These findings may contribute to future strategies in the elaboration of specific nanomaterials or for selective chemistry using electron-beam techniques.

摘要

含金化合物在纳米材料科学中有许多应用,而电子束方法在纳米结构成型方面用途广泛。在本研究中,我们报告了慢电子诱导氯(二甲基硫醚)金(I)(ClAuS(CH))的能量选择性碎片化。我们观察到四个碎片阴离子的共振形成,即[Cl]、[S]、[CHS]和[ClAuH···SH],它们在0 - 9 eV的能量范围内产生。主要的碎片阴离子在低于1 eV时由单个Au - Cl键的断裂形成,产生[Cl]阴离子。通过密度泛函理论(DFT)方法研究了共振态和碎片化的能量学。这些发现可能有助于未来在制备特定纳米材料或使用电子束技术进行选择性化学方面的策略。

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