C3-symmetric tripalladium(II) complex for catalysis via geometrical coincident interaction with C3-symmetric substrate

IF 1.6 4区化学 Q3 CHEMISTRY, INORGANIC & NUCLEAR Transition Metal Chemistry Pub Date : 2022-12-17 DOI:10.1007/s11243-022-00519-2

Dongwon Kim, Jyoti Ramesh Jadhav, Junmyeong Park, Ok-Sang Jung

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Abstract

Reaction of cis-protected [(Me₄en)Pd(SO₄)] with the newly designed C₃-symmetric Ba₃L anionic ligand produces a stable trinuclear [(Me₄enPd)₃L] in a cis-O,O′ mode. A characteristic structural feature is that [(Me₄enPd)₃L] consists of a total of 10 rings with one 6-membered central benzene ring, three 5-membered rings (PdN₂C₂), three 6-membered rings (PdO₂C₃), and three 7-membered rings. This tripalladium(II) complex shows significant multi-center catalytic efficiency in the Heck reaction with the appropriate C₃-symmetric trifunctional substrate via geometrical coincident interaction between the substrate and the catalyst. A theoretical calculation of the geometrical intermolecular interaction-behavior between the catalyst ([(Me₄enPd)₃L]) and the substrate (1,3,5-tris(4-iodophenyl)benzene) in N,N-dimethylformamide solution was carried out.

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c3对称三钯配合物通过与c3对称底物的几何重合相互作用催化

顺式保护[(Me4en)Pd(SO4)]与新设计的c3对称Ba3L阴离子配体反应生成顺式O,O '模式稳定的三核[(Me4enPd)3L]。一个典型的结构特征是[(Me4enPd)3L]共由10个环组成，其中1个6元中心苯环、3个5元环(PdN2C2)、3个6元环(PdO2C3)和3个7元环。该三钯配合物通过催化剂与相应的c3对称三功能底物的几何重合作用，在Heck反应中表现出显著的多中心催化效率。对N,N-二甲基甲酰胺溶液中催化剂([(Me4enPd)3L])与底物(1,3,5-三(4-碘苯)苯)的几何分子间相互作用行为进行了理论计算。图形抽象

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来源期刊

Transition Metal Chemistry 化学-无机化学与核化学

CiteScore

3.60

自引率

0.00%

发文量

审稿时长

1.3 months

期刊介绍： Transition Metal Chemistry is an international journal designed to deal with all aspects of the subject embodied in the title: the preparation of transition metal-based molecular compounds of all kinds (including complexes of the Group 12 elements), their structural, physical, kinetic, catalytic and biological properties, their use in chemical synthesis as well as their application in the widest context, their role in naturally occurring systems etc. Manuscripts submitted to the journal should be of broad appeal to the readership and for this reason, papers which are confined to more specialised studies such as the measurement of solution phase equilibria or thermal decomposition studies, or papers which include extensive material on f-block elements, or papers dealing with non-molecular materials, will not normally be considered for publication. Work describing new ligands or coordination geometries must provide sufficient evidence for the confident assignment of structural formulae; this will usually take the form of one or more X-ray crystal structures.