Synthesis and characterization of Pd/NHCF complexes with fluorinated aryl groups,Dalton Transactions

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Synthesis and characterization of Pd/NHCF complexes with fluorinated aryl groups
Dalton Transactions ( IF 3.5 ) Pub Date : 2022-06-16 , DOI: 10.1039/d2dt00892k
Darya O Prima ₁ , Roman O Pankov ₁ , Alexander Yu Kostyukovich ₁ , Mikhail E Minyaev ₁ , Julia V Burykina ₁ , Valentine P Ananikov ₁

Affiliation

The key problem of the instability of fluorine-containing diazadienes was addressed to perform the efficient synthesis of imidazolium salts containing fluorine substituents in the aryl groups. The subsequent reaction of fluorine-containing imidazolium compounds (NHC_F) with palladium salts under simple conditions afforded new Pd/NHC_F complexes. Computational and structural studies were performed to assess the effect of fluorine on the Pd–NHC bond and gave insight into the electronic effects in the molecule. The introduction of fluorine substituents into the aryl rings of the NHC ligands leads to a slight decrease in their σ-donor properties. At the same time, there is a slight increase in the π-acceptor capacity of NHC_F. These two effects compensate for each other, so that the Pd–NHC bonding energy remains virtually unchanged. Another observed effect is associated with a slight weakening of the trans influence of the NHC_F ligands, which is expressed in the strengthening of the Pd–Solv bond in (NHC)Pd(Solv) complexes. For the first time, a series of novel Pd/NHC_F complexes were synthesized via a straightforward approach from fluorine-containing anilines.

中文翻译：

含氟芳基的 Pd/NHCF 配合物的合成与表征

解决了含氟二氮杂二烯不稳定性的关键问题，以高效合成芳基中含氟取代基的咪唑鎓盐。随后含氟咪唑鎓化合物 (NHC _F ) 与钯盐在简单条件下反应得到新的 Pd/NHC _F配合物。进行计算和结构研究以评估氟对 Pd-NHC 键的影响，并深入了解分子中的电子效应。将氟取代基引入 NHC 配体的芳环会导致其 σ 供体性质略有下降。同时，NHC _{F的 π 受体容量略有增加}. 这两种效应相互补偿，因此 Pd-NHC 键能几乎保持不变。_{另一个观察到的效果与 NHC F}配体的反式影响的轻微减弱有关，这表现为 (NHC)Pd(Solv) 配合物中 Pd-Solv 键的加强。首次从含氟苯胺通过简单的方法合成了一系列新型 Pd/NHC _{F配合物。}

更新日期：2022-06-16

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