Selection of cross-coupling reaction products from Pd-cyclometalled complexes deposited on Ag(110) by tuning preparation conditions.

IF 2.1 4区化学 Q3 CHEMISTRY, PHYSICAL

Surface Science Pub Date : 2025-02-22 DOI:10.1016/j.susc.2025.122724

Marija Stojkovska , Jose Eduardo Barcelon , Daniele Perilli , Gianangelo Bracco , Giovanni Carraro , Marco Smerieri , Mario Rocca , Luca Vattuone , Luca Vaghi , Antonio Papagni , Cristiana Di Valentin , Letizia Savio

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引用次数: 0

Abstract

Pd-cyclometallated compounds may be relevant for catalytic purposes, but very little is known about their interactions with metal substrates.

Here we report a combined low-temperature scanning tunnelling microscopy and density functional theory investigation on the interaction of the cyclometallated compound C₂₂H₁₄Br₂N₂Pd₂Cl₂ on Ag(110). Upon deposition at low temperature the molecules adsorb in a disordered manner on the surface but, upon annealing to room temperature, a cross-coupling reaction between molecular fragments occurs and ordered ad-layers are observed.

Comparison of the present result with those previously reported for deposition at 300 K and annealing to higher temperature shows that the final product of the cross-coupling reaction is a different di-phenyl-bi-pyridine isomer. Therefore, we confirm the presence of a rich chemistry at the base of the cyclometallate-metal interaction, that significantly modifies the nature of the compounds, and we envisage the possibility to tune the final product of cross-coupling reactions by selecting the suitable preparation protocol.

Abstract Image

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调整制备条件选择银（110）表面钯环金属配合物的交联反应产物。

钯环金属化化合物可能与催化目的有关，但对它们与金属底物的相互作用知之甚少。本文采用低温扫描隧道显微镜和密度泛函理论相结合的方法研究了环金属化化合物C22H14Br2N2Pd2Cl2与Ag（110）的相互作用。在低温下沉积时，分子以无序方式吸附在表面上，但在退火到室温时，分子片段之间发生交叉偶联反应，并观察到有序的ad-层。与之前报道的在300 K下沉积和退火到更高温度的结果比较表明，交叉偶联反应的最终产物是不同的二苯基-双吡啶异构体。因此，我们确认在环金属-金属相互作用的基础上存在丰富的化学物质，这显着改变了化合物的性质，并且我们设想通过选择合适的制备方案来调整交叉偶联反应的最终产物的可能性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Surface Science 化学-物理：凝聚态物理

CiteScore

3.30

自引率

5.30%

发文量

137

审稿时长

25 days

期刊介绍： Surface Science is devoted to elucidating the fundamental aspects of chemistry and physics occurring at a wide range of surfaces and interfaces and to disseminating this knowledge fast. The journal welcomes a broad spectrum of topics, including but not limited to: • model systems (e.g. in Ultra High Vacuum) under well-controlled reactive conditions • nanoscale science and engineering, including manipulation of matter at the atomic/molecular scale and assembly phenomena • reactivity of surfaces as related to various applied areas including heterogeneous catalysis, chemistry at electrified interfaces, and semiconductors functionalization • phenomena at interfaces relevant to energy storage and conversion, and fuels production and utilization • surface reactivity for environmental protection and pollution remediation • interactions at surfaces of soft matter, including polymers and biomaterials. Both experimental and theoretical work, including modeling, is within the scope of the journal. Work published in Surface Science reaches a wide readership, from chemistry and physics to biology and materials science and engineering, providing an excellent forum for cross-fertilization of ideas and broad dissemination of scientific discoveries.