On-surface synthesis of organocopper metallacycles through activation of inner diacetylene moieties,Chemical Science

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On-surface synthesis of organocopper metallacycles through activation of inner diacetylene moieties
Chemical Science ( IF 7.6 ) Pub Date : 2021-08-30 , DOI: 10.1039/d1sc03703j
Borja Cirera ₁ , Alexander Riss ₂ , Pingo Mutombo ₃ , José I Urgel _{1,

4} , José Santos _{1,

5} , Marco Di Giovannantonio _{4,

6} , Roland Widmer ₄ , Samuel Stolz _{4,

7} , Qiang Sun ₄ , Max Bommert ₄ , Roman Fasel _{4,

8} , Pavel Jelínek ₃ , Willi Auwärter ₂ , Nazario Martín _{1,

5} , David Écija ₁

Affiliation

The design of organometallic complexes is at the heart of modern organic chemistry and catalysis. Recently, on-surface synthesis has emerged as a disruptive paradigm to design previously precluded compounds and nanomaterials. Despite these advances, the field of organometallic chemistry on surfaces is still at its infancy. Here, we introduce a protocol to activate the inner diacetylene moieties of a molecular precursor by copper surface adatoms affording the formation of unprecedented organocopper metallacycles on Cu(111). The chemical structure of the resulting complexes is characterized by scanning probe microscopy and X-ray photoelectron spectroscopy, being complemented by density functional theory calculations and scanning probe microscopy simulations. Our results pave avenues to the engineering of organometallic compounds and steer the development of polyyne chemistry on surfaces.

中文翻译：

通过活化内联乙炔部分在表面合成有机铜金属环

有机金属配合物的设计是现代有机化学和催化的核心。最近，表面合成已成为设计先前排除的化合物和纳米材料的颠覆性范例。尽管取得了这些进展，但表面有机金属化学领域仍处于起步阶段。在这里，我们介绍了一种通过铜表面吸附原子激活分子前体的内部丁二炔部分的协议，从而在 Cu(111) 上形成前所未有的有机铜金属环。所得配合物的化学结构由扫描探针显微镜和 X 射线光电子能谱表征，并辅以密度泛函理论计算和扫描探针显微镜模拟。

更新日期：2021-09-08

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