Electrochemical conversion of CO into ethane is seldom observed because of the generally higher selectivity towards methane, ethylene, and ethanol. Consequently, little experimental evidence for its reaction mechanism exists and thus remains largely unknown. Now, by combining electrochemistry with in situ X-ray absorption fine-structure and in situ Raman techniques, iodide-derived copper (ID-Cu) and oxide-derived copper (OD-Cu) systems were studied to obtain a deeper understanding of the CO to ethane mechanism. With trace iodine species on the surface and positively charged Cu species, production of ethane is significantly more favored on ID-Cu compared to OD-Cu, with higher selectivity and faster kinetics. For the first time, it is experimentally found that the formation of ethane follows the same pathway to ethylene and ethanol, and better stabilization of the late stage ethoxy intermediate can steer the reaction to ethane over ethanol.
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http://dx.doi.org/10.1002/anie.202004846 | DOI Listing |
J Phys Chem A
November 2024
Quantum Theory Project, Departments of Chemistry and Physics, University of Florida, Gainesville, Florida 32611, United States.
The thermal unimolecular decay of ethoxy is important in high-temperature combustion environments where the ethoxy radical is a key reactive intermediate. Two dissociation pathways of ethoxy, including the β-C-C scission to yield CH + CHO and the H-elimination to make H + CHCHO, were characterized using a high-level coupled-cluster-based composite quantum chemical method (mHEAT-345(Q)). The former route is found to be dominant while the latter is insignificant, in agreement with previous experimental and theoretical studies.
View Article and Find Full Text PDFChemosphere
September 2024
National Engineering Research Center of Industrial Wastewater Detoxication and Resource Recovery, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing, 100085, China; University of Chinese Academy of Sciences, Beijing, 100049, China. Electronic address:
Halocyclopentadienes (HCPDs) are an emerging class of alicyclic disinfection by-products (DBPs) with high toxicity in disinfected drinking water. However, their potential precursors remain unclear, which hinders the understanding of their formation and further development of control strategies. In this study, two HCPDs, 1,2,3,4-tetrachloro-1,3-cyclopentadiene (TCC) and 1,2,3,4,5,5-hexachloro-1,3-cyclopentadiene (HCC), were identified in chlorinated lignin and tannic acid samples for the first time.
View Article and Find Full Text PDFPhys Chem Chem Phys
March 2024
Innovation Center for Chemical Sciences, College of Chemistry, Chemical Engineering and Materials Science, Soochow University, 199 Ren-Ai Road, Suzhou Industrial Park, Suzhou, Jiangsu, 215123, China.
Zeolite-supported gold nanoclusters play increasingly important roles in heterogeneous catalysis and exhibit unique catalytic properties for ethanol dehydrogenation to acetaldehyde. Nevertheless, the reaction mechanism and potential roles of the zeolite-encapsulated gold nanoclusters during the catalytic process remain unclear. Herein, computational studies were carried out to gain mechanistic insights into ethanol dehydrogenation to acetaldehyde under both aerobic and anaerobic conditions catalyzed by a silicalite-1 zeolite-encapsulated Au cluster cation (Au-S1).
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
March 2024
Department of Otolaryngology, Faculty of Medicine, Al-Azhar University, 34518, Damietta, Egypt. Electronic address:
Finerenone, a non-steroidal mineralocorticoid receptor antagonist, has gained recent approval for treating cardiovascular and kidney-related conditions. Herein, an innovative fluorescence chemo sensor was developed for the determination of finerenone in the pharmaceutical dosage form and the plasma matrix. The method is basically based on chemical transformation of finerenone into a fluorescent product through sequential reactions.
View Article and Find Full Text PDFJ Neurol
February 2024
Department of Neurology, College of Medicine, The Catholic University of Korea, 222 Banpo-daero, Seocho-gu, Seoul, 06591, Republic of Korea.
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