Mechanistic insights on CO2 utilization using sustainable catalysis

Autor:	Fatima Alsoubani, Feda'a M. Al-Qaisi, Suhad B. Hammad, Khaleel I. Assaf, Ala'a F. Eftaiha, Abdussalam K. Qaroush, Areej K. Hasan
Rok vydání:	2021
Předmět:	Chemistry Hydrogen bond General Chemistry Reaction intermediate Catalysis Cycloaddition chemistry.chemical_compound Nucleophile Catalytic cycle Computational chemistry Bromide Materials Chemistry Bifunctional
Zdroj:	New Journal of Chemistry. 45:22280-22288
ISSN:	1369-9261 1144-0546
Popis:	We reported on sustainable, one-pot synthesized caffeine-based compounds as effective, bifunctional, heterogenous, hydrogen-bond-donor organocatalysts for the cycloaddition of CO2 with several epoxides, supported by a mechanistic study and verified by density functional theory calculations. Two reaction intermediates were isolated during the catalytic cycle: the first involving hydrogen bonding between caffeinium bromide and epichlorohydrin upon exchanging Br− with PF6−, and the second comprising of the nucleophilic attack of Br− followed by ring opening, as deduced from the appearance of a peak corresponding to the C–Br bond in the ATR-FTIR spectrum in the absence of CO2. In this respect, most of the literature is based on postulated mechanisms, racing to achieve lower working conditions, urging us to dig deeper to understand the aforementioned reaction.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::b77f560e2a2194216f16b9b41068608b https://doi.org/10.1039/d1nj04757d Zobrazit plný text záznamu