Mechanism and origin of cyclization selectivity for Ru(<scp>ii</scp>)-catalyzed <i>gem</i>-hydrogenation of 1,3-enynes: a DFT study-Reference-Cited by-同舟云学术

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Mechanism and origin of cyclization selectivity for Ru(ii)-catalyzed gem-hydrogenation of 1,3-enynes: a DFT study

Published:2024 Issue:12 Volume:14 Page:3493-3501
ISSN:2044-4753
Container-title:Catalysis Science & Technology
language:en
Short-container-title:Catal. Sci. Technol.

Author:

Liu Shuiqing¹,Ling Baoping¹,Bi Siwei¹^ORCID,Wang Rongyue²

Affiliation:

1. School of Chemistry and Chemical Engineering, Qufu Normal University, 57 Jingxuan West Road, Qufu, Shandong, 273165, People's Republic of China

2. GRINM (Guangdong) Institute for Advanced Materials and Technology, Foshan, Guangdong, 528000, People's Republic of China

Abstract

The mechanism of gem-hydrogenation, origins of cyclization selectivity, and influence of heteroatoms were investigated using DFT computations.

Funder

Natural Science Foundation of Shandong Province

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CY/D4CY00261J

Reference38 articles.

1. Formation of Ruthenium Carbenes bygem-Hydrogen Transfer to Internal Alkynes: Implications for Alkynetrans-Hydrogenation

2. trans-Hydrogenation, gem-Hydrogenation, and trans-Hydrometalation of Alkynes: An Interim Report on an Unorthodox Reactivity Paradigm

3. Half-Sandwich Ruthenium Carbene Complexes Link trans-Hydrogenation and gem-Hydrogenation of Internal Alkynes

4. Hydrogenative Cyclopropanation and Hydrogenative Metathesis

5. Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne gem-Hydrogenation

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