The effect of the coordination sphere of the platinum catalyst on the course of the direct С–С coupling in the systems PtII–ArH–ArI–base. The experimental and theoretical (DFT) study
- 作者: Bezbozhnaya T.1, Litvinenko S.1, Kharaneko A.1
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隶属关系:
- L.M. Litvinenko Institute of Physical-Organic and Coil Chemistry
- 期: 卷 86, 编号 10 (2016)
- 页面: 2301-2306
- 栏目: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/216317
- DOI: https://doi.org/10.1134/S1070363216100091
- ID: 216317
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详细
The composition of coupling products in reaction of arenes with aryl iodides catalyzed with Pt(phen)Cl2, Pt(bipy)Cl2, Pt(py)2Cl2 and K2PtCl4 complexes was studied. Based on quantum-chemical calculations of the charges on platinum atoms, the energies of the frontier molecular orbitals of the metal complexes and substrates an approach is proposed to forecasting the effect of the structure of the catalyst on the direction of the reaction towards the homo or cross-coupling.
作者简介
T. Bezbozhnaya
L.M. Litvinenko Institute of Physical-Organic and Coil Chemistry
编辑信件的主要联系方式.
Email: b.t.v@i.ua
乌克兰, ul. R. Lyuksemburg 70, Donetsk, 83114
S. Litvinenko
L.M. Litvinenko Institute of Physical-Organic and Coil Chemistry
Email: b.t.v@i.ua
乌克兰, ul. R. Lyuksemburg 70, Donetsk, 83114
A. Kharaneko
L.M. Litvinenko Institute of Physical-Organic and Coil Chemistry
Email: b.t.v@i.ua
乌克兰, ul. R. Lyuksemburg 70, Donetsk, 83114