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Cyclopropenylidenes as Strong Carbene Anchoring Groups on Au Surfaces
Journal of the American Chemical Society ( IF 15.0 ) Pub Date : 2020-11-11 , DOI: 10.1021/jacs.0c10743
Evan A. Doud , Rachel L. Starr , Gregor Kladnik 1, 2 , Anastasia Voevodin , Enrique Montes 3 , Narendra P. Arasu 3 , Yaping Zang , Percy Zahl 4 , Alberto Morgante 1, 5 , Latha Venkataraman , Héctor Vázquez 3 , Dean Cvetko 1, 2, 6 , Xavier Roy
Affiliation  

The creation of stable molecular monolayers on metallic surfaces is a fundamental challenge of surface chemistry. N-Heterocyclic carbenes (NHCs) were recently shown to form self-assembled monolayers that are significantly more stable than the traditional thiols on Au system. Here we theoretically and experimentally demonstrate that the smallest cyclic carbene, cyclopropenylidene, binds even more strongly than NHCs to Au surfaces without altering the surface structure. We deposit bis(diisopropylamino)cyclopropenylidene (BAC) on Au(111) using the molecular adduct BAC-CO2 as a precursor and determine the structure, geometry, and behavior of the surface-bound molecules through high-resolution X-ray photoelectron spectroscopy, atomic force microscopy, and scanning tunneling microscopy. Our experiments are supported by density functional theory calculations of the molecular binding energy of BAC on Au(111) and its electronic structure. Our work is the first demonstration of surface modification with a stable carbene other than NHC; more broadly, it drives further exploration of various carbenes on metal surfaces.

中文翻译:

环丙烯基作为金表面上的强卡宾锚定基团

在金属表面上形成稳定的分子单层是表面化学的一项基本挑战。N-杂环卡宾 (NHC) 最近被证明可以形成自组装单层,其比 Au 系统上的传统硫醇更稳定。在这里,我们从理论上和实验上证明,最小的环状卡宾,环亚丙烯基,在不改变表面结构的情况下,比 NHC 与 Au 表面的结合更强。我们使用分子加合物 BAC-CO2 作为前体在 Au(111) 上沉积双(二异丙基氨基)环丙烯基(BAC),并通过高分辨率 X 射线光电子能谱确定表面结合分子的结构、几何形状和行为,原子力显微镜和扫描隧道显微镜。我们的实验得到了 BAC 在 Au(111) 上的分子结合能及其电子结构的密度泛函理论计算的支持。我们的工作是首次用 NHC 以外的稳定卡宾进行表面改性;更广泛地说,它推动了对金属表面各种卡宾的进一步探索。
更新日期:2020-11-11
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