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Electronic effect of a perfluorinated β-diketiminate ligand on the bonding nature of copper carbonyl complexes.
Dalton Transactions ( IF 4 ) Pub Date : 2020-06-30 , DOI: 10.1039/d0dt01943g
Kevin Huse 1 , Hanns Weinert 1 , Christoph Wölper 1 , Stephan Schulz 1
Affiliation  

Two copper complexes 17Fnac2Cu(C6H6) (3) and 17Fnac2CuCO (4) containing the monoanionic, perfluorinated β-diketiminate 17Fnac2 ligand (1) (17Fnac2 = FC[C(CF3)N(C6F5)]2) were synthesized and characterized by IR and NMR spectroscopy (1H, 13C, 19F), cyclovaltammometry (CV), elemental analysis and single crystal X-ray diffraction. The perfluorinated 17Fnac2 ligand marginally reduces the π-back-bonding capacity of the copper centre to the carbonyl group in 4 when compared with the corresponding 16Fnac2 substituted complexes but substantially when compared with the fluorine free substituted derivatives. Quantum chemical calculations gave deeper insight into the bonding situation of this carbonyl complex, while CV studies were performed to determine the oxidation potential of 3 in solution. Based on these data, the influence of the degree of fluorination in different β-diketimine ligands on the electronic nature of the corresponding copper complexes is discussed.

中文翻译:

全氟化β-二酮化合物的电子效应对羰基铜配合物的键合性质的影响。

两个铜络合物17 Fnac的2的Cu(C 6 H ^ 6)(3)和17 Fnac的2 CUCO(4),其含有单阴离子,全氟化β-二亚胺基17 Fnac的2 -配体(1)(17 Fnac的2 = FC [C(CF 3)N(C 6 F 5)] 2)的合成和红外光谱(1 H,13 C,19F),循环伏安法(CV),元素分析和单晶X射线衍射。所述全氟化17 Fnac的2 -配体略微降低了铜中心与羰基中的π-背面接合容量4时与相应的比较16 Fnac的2 -当与无氟取代的衍生物相比取代的配合物,但基本上。量子化学计算更深入地了解了该羰基配合物的键合情况,同时进行了CV研究以确定3的氧化电位。在解决方案中。基于这些数据,讨论了不同β-二酮亚胺配体中氟化程度对相应铜配合物电子性质的影响。
更新日期:2020-07-21
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