The role of halide ions in the carboxylative cyclization of propargyl alcohol with CO<sub>2</sub> on CuX-deposited UiO-67(bpy) MOFs (X = F, Cl, Br, and I): a DFT study-Reference-Cited by-同舟云学术

The role of halide ions in the carboxylative cyclization of propargyl alcohol with CO₂ on CuX-deposited UiO-67(bpy) MOFs (X = F, Cl, Br, and I): a DFT study

Published:2024 Issue:27 Volume:48 Page:12120-12129
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Sirijaraensre Jakkapan¹²^ORCID

Affiliation:

1. Department of Chemistry, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand

2. Center for Advanced Studies in Nanotechnology for Chemical, Food, and Agricultural Industries, Kasetsart University Institute for Advanced Studies, Kasetsart University, Bangkok 10900, Thailand

Abstract

The synergy between Cu(i) acidity in deposited Cu–halides and DBU is crucial for converting C3H4O and CO2 into cyclic carbonate. DBU activates the hydroxyl group, while the Cu(i) cation is responsible for activating the alkyne bond of C3H4O.

Funder

Kasetsart University Research and Development Institute

Institute for Advanced Studies, Kasetsart University

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/NJ/D4NJ02174F

Reference45 articles.

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