具有平面矩形金属芯的羧酸钯配合物：合成、结构和量子化学计算结果

IF 1.7 4区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Russian Chemical Bulletin Pub Date : 2025-10-20 DOI:10.1007/s11172-025-4745-9

O. N. Shishilov, R. S. Shamsiev, N. S. Akhmadullina, E. S. Kon’kova, V. A. Polyakova, V. R. Flid

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引用次数: 0

摘要

本文综述了具有平面矩形金属芯的羧酸钯配合物Pd4(μ-L)4(μ-RCO2)4 （R为有机或有机元素取代基，L = CO, SR ', OOR ', CNR '， NO）的分子结构、电子结构和光谱特征。分析了密度泛函量子化学计算的结果（包括能量和振动频率计算）。结果表明，金属核周围最有利的配体排列主要取决于配体L的性质，而取代基R和R′的性质影响不大。理论研究结果与实验数据一致。

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Palladium carboxylate complexes with planar rectangular metal core: synthesis, structure, and results of quantum chemical calculations

The review is concerned with specific features of the molecular and electronic structure as well as spectral characteristics of palladium carboxylate complexes Pd₄(μ-L)₄(μ-RCO₂)₄ (R is an organic or organoelement substituent; L = CO, SR′, OOR′, CNR′, NO) having a planar rectangular metal core. The results of density functional quantum chemical calculations (including energy and vibrational frequency calculations) are analyzed. It was demonstrated that the most favorable arrangement of ligands around the metal core depends primarily on the nature of the ligand L, whereas the properties of the substituents R and R′ have little effect. The results of theoretical studies are consistent with experimental data.

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来源期刊

Russian Chemical Bulletin 化学-化学综合

CiteScore

2.70

自引率

47.10%

发文量

257

审稿时长

3-8 weeks

期刊介绍： Publishing nearly 500 original articles a year, by leading Scientists from Russia and throughout the world, Russian Chemical Bulletin is a prominent international journal. The coverage of the journal spans practically all areas of fundamental chemical research and is presented in five sections: General and Inorganic Chemistry; Physical Chemistry; Organic Chemistry; Organometallic Chemistry; Chemistry of Natural Compounds and Bioorganic Chemistry.