磷-氮pn3p螯合物的金属转化：竞争配体-金属亲和力

IF 2.2 4区化学 Q3 CHEMISTRY, INORGANIC & NUCLEAR

European Journal of Inorganic Chemistry Pub Date : 2025-03-23 DOI:10.1002/ejic.202500137

Dr. P. Chakraborty, Dr. T. P. Gonçalves, Dr. D. Han, Dr. L. Yang, Dr. P. K. Das, Prof. Dr. K.-W. Huang

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引用次数: 0

摘要

本文演示了磷氮锌配合物简单直接的热控金属转化为磷氮钳形钴镍配合物。通过SCXRD、HRMS（正、负模式）和NMR对所有转化产物进行了表征。UV-Vis研究的B - H图进一步证明了转化过程。转化结果和DFT计算确定了这三种配合物的热力学稳定性，其顺序为Zn<；Co<Ni。利用键内强度阶、电子定位函数、CHELPG-ESP电荷和扩展电荷分解分析（ECDA）对反应结果进行了合理化分析。

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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Transmetalation in Phosphorus-Nitrogen PN3P-Pincer Complexes: Competitive Ligand-Metal Affinity

Simple and straightforward thermodynamically controlled transmetalation of phosphorus-nitrogen Zn complex to phosphorus-nitrogen pincer cobalt and nickel complexes were demonstrated. All the transmetalation products were well characterized by SCXRD, HRMS (positive and negative mode), and NMR. B−H plots from UV-Vis studies further justify the transmetalation process. Transmetalation results and DFT calculations established the thermodynamic stability of these three complexes in the order of Zn<Co<Ni. The Intrinsic Bond Strength Order, Electron localization function, CHELPG-ESP charges, and Extended Charges Decomposition Analysis (ECDA) were applied to rationalize the reaction outcome.

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来源期刊

European Journal of Inorganic Chemistry 化学-无机化学与核化学

CiteScore

4.30

自引率

4.30%

发文量

419

审稿时长

1.3 months

期刊介绍： The European Journal of Inorganic Chemistry (2019 ISI Impact Factor: 2.529) publishes Full Papers, Communications, and Minireviews from the entire spectrum of inorganic, organometallic, bioinorganic, and solid-state chemistry. It is published on behalf of Chemistry Europe, an association of 16 European chemical societies. The following journals have been merged to form the two leading journals, European Journal of Inorganic Chemistry and European Journal of Organic Chemistry: Chemische Berichte Bulletin des Sociétés Chimiques Belges Bulletin de la Société Chimique de France Gazzetta Chimica Italiana Recueil des Travaux Chimiques des Pays-Bas Anales de Química Chimika Chronika Revista Portuguesa de Química ACH—Models in Chemistry Polish Journal of Chemistry The European Journal of Inorganic Chemistry continues to keep you up-to-date with important inorganic chemistry research results.