Differences between the elimination of early and late transition metals: DFT mechanistic insights into the titanium-catalyzed synthesis of pyrroles from alkynes and diazenes

Author:

Guo Jiandong1234,Deng Xi1234,Song Chunyu1234,Lu Yu1234,Qu Shuanglin1234ORCID,Dang Yanfeng12345,Wang Zhi-Xiang12345ORCID

Affiliation:

1. School of Chemistry and Chemical Engineering

2. University of the Chinese Academy of Sciences

3. Beijing 100049

4. China

5. Collaborative Innovation Center of Chemical Science and Engineering

Abstract

A DFT study demonstrates that titanium is capable of promoting C–N bond formation via an unconventional reductive elimination pathway featuring back-donation (REBD).

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

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