Oxidation of Pd(ii) with disilane in a palladium-catalyzed disilylation of aryl halides: a theoretical view

Author:

Zhang Jing1234,Liu Shihan56784,Zhang Tao9101112,Liu Tao1234ORCID,Lan Yu56784ORCID

Affiliation:

1. Department of Chemistry and Chemical Engineering

2. Jining University

3. Qufu 273155

4. P. R. China

5. School of Chemistry and Chemical Engineering

6. and Chongqing Key Laboratory of Theoretical and Computational Chemistry

7. Chongqing University

8. Chongqing 400030

9. Green Catalysis Center

10. and College of Chemistry Zhengzhou University Zhengzhou

11. Henan 450001

12. China

Abstract

DFT calculations were employed to study the mechanism of the Pd-catalyzed disilylation reaction of aryl halides, accompanying the discussion of the oxidizing ability of disilane and aryl halides.

Funder

National Natural Science Foundation of China

Science and Technology Innovation Talents in Universities of Henan Province

Natural Science Foundation of Shandong Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

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