Molecular structure of Ru(II)/diphosphine/4,6-dimethyl-2-pyrimidinethiol complexes: A combined experimental and density functional theory study

Benedicto A.V. Lima, Jaldyr de J.G. Varela,Javier Ellena,Alzir A. Batista,Albérico B.F. da Silva,Rodrigo S. Correa

Journal of Molecular Structure（2023）

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摘要

•Three new Ru(II) complexes were prepared.•Full characterization is reported.•Single-crystal X-ray diffraction confirm the molecular structures.•DFT are in agreement with experimental data.

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关键词

Ruthenium(II) complexes,Molecular structure,Electronic transitions,DFT,CDA

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