Reaction mechanism, norbornene and ligand effects, and origins of meta-selectivity of Pd/norbornene-catalyzed C

Reaction mechanism, norbornene and ligand effects, and origins of meta-selectivity of Pd/norbornene-catalyzed C–H activation

Author:

Yang Tao¹²³⁴⁵^ORCID,Kong Chuncai¹²³⁴⁵^ORCID,Yang Shengchun¹²³⁴⁵^ORCID,Yang Zhimao¹²³⁴⁵,Yang Sen¹²³⁴⁵,Ehara Masahiro⁶⁷⁸⁹¹⁰^ORCID

Affiliation:

1. School of Science

2. MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter

3. Xi'an Jiaotong University

4. Xi'an 710049

5. China

6. Research Center for Computational Science

7. Institute for Molecular Science

8. Okazaki 444-8585

9. Japan

10. Elements Strategy Initiative for Catalysts and Batteries (ESICB)

Abstract

Density functional theory calculations disclosed the key steps of Pd/norbornene-catalyzed meta-C–H functionalization.

Funder

National Natural Science Foundation of China

Xi’an Jiaotong University

Japan Society for the Promotion of Science

Ministry of Education, Culture, Sports, Science and Technology

State Grid Corporation of China

Fundamental Research Funds for the Central Universities

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

Reference86 articles.

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