A gold-aluminyl complex has been recently reported to feature an unconventional gold nucleophilic center, which was revealed through reactivity with carbon dioxide leading to the Au-CO₂ coordination mode. In this work, we computationally investigate the reaction mechanism, which is found to be cooperative, with the gold–aluminum bond being the actual nucleophile and Al also behaving as electrophile. The Au–Al bond is shown to be mainly of an electron-sharing nature, with the two metal fragments displaying a diradical-like reactivity with CO₂.

中文翻译：

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金-铝络合物与二氧化碳的反应性：亲核金？

最近报道了一种金-铝基配合物具有非常规的金亲核中心，这通过与二氧化碳的反应性导致 Au-CO ₂配位模式而揭示。在这项工作中，我们通过计算研究了反应机制，发现该反应机制是合作的，金-铝键是实际的亲核试剂，Al 也表现为亲电试剂。Au-Al 键显示出主要具有电子共享性质，两个金属片段显示出与 CO ₂的类双自由基反应性。