Even though quantum mechanical tunnelling has been appearing recurrently mostly in theoretical studies that emphasize its decisive role for many chemical reactions, it still appears suspicious to most organic chemists. Recent experiments in combination with powerful computational approaches, however, have demonstrated that tunnelling must be included to fully understand chemical reactivity. Here we provide an overview of the importance of tunnelling in organic chemical reactions.
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http://dx.doi.org/10.1039/c2ob07170c | DOI Listing |
Environ Monit Assess
January 2025
International Joint Research Center For Green Energy and Chemical Industry, School of Chemical Engineering, East China University of Science and Technology, Shanghai, 200237, People's Republic of China.
Escalating SOx and NOx emissions from industrial plants necessitates customized scrubbing solutions to improve removal efficiency and tackle cost limitations in existing wet FGD units. This work investigates the real-time intensified removal pathways via an innovative two-stage countercurrent spray tower configuration strategically integrating NaOH (M) and NaOH/NaClO (M/M) to remove SOx and NOx emissions simultaneously from the industrial stack through a comprehensive parametric study of absorbents concentration, reaction temperature, gas flow rate, liquid to gas ratio (F/F), and absorbent showering head. Flue gas stream comprising SO bearing 4500 ppm, SO bearing 300 ppm, 70 ppm NO, and 50 ppm NO brought into contact with two scrubbing solutions as M, and a complex absorbent of M/M at varying respective ratios.
View Article and Find Full Text PDFMikrochim Acta
January 2025
Cellular and Molecular Research Center, Cellular and Molecular Research Medicine Institute, Urmia University of Medical Sciences, 5714783734, Urmia, Iran.
Fe, Ni, and Cu doped ceria nanoparticles (CeNPs) were prepared with a simple and one-pot hydrothermal synthesis method. We investigated the chemiluminescence (CL) interaction between these NPs and rhodamine B (Rh B) and found that the highest CL intensity was related to the Rh B- Cu doped CeNPs. We assigned that to the higher catalytic property of Cu doped NPs compared to the others.
View Article and Find Full Text PDFJ Mol Model
January 2025
Sorbonne Université, CNRS, "De la Molécule aux Nano-Objets : Réactivité, Interactions et Spectroscopies", MONARIS, UMR 8233, 4 Place Jussieu, Paris, 75005, France.
Context: A chemical reaction can be described, from a physicochemical perspective, as a redistribution of electron density. Additionally, non-covalent interactions locally modify the electron density distribution. This study aims to characterize the modification of reactivity caused by the presence of non-covalent interactions such as hydrogen bonds, in a reaction involving the formation of two bonds and the breaking of two others: CH₃COOH + NH₂CH₃ → CH₃CONHCH₃.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
Nankai University, College of Chemistry, 94 Weijin Rd., 300071, Tianjin, CHINA.
Reliable methods for rapidly constructing C(sp3)-rich three-dimensional polycycles are in high demand for organic synthesis and medicinal chemistry. Although there are various mature systems for synthesizing five- or six-membered polycycles, a catalytic platform for accessing diverse cycloheptanoid-containing polycyclic scaffolds is lacking. Herein, we describe a method for copper-catalyzed intramolecular 2-aminoallyl cation-diene (4 + 3) cycloaddition reactions.
View Article and Find Full Text PDFJ Org Chem
January 2025
School of Chemistry and Chemical Engineering, Guangxi University, Nanning, Guangxi 530004, China.
A highly efficient Minisci reaction of pyrimidines with alkyl radical generated from visible-light-induced activation of simple C(sp)-H feedstocks such as (cyclo)alkanes, ethers, alcohols, esters, and amides is reported. A mechanistic study revealed that alkyl radical was generated via hydrogen atom transfer (HAT) of C(sp)-H with dichloromethyl radical (·CHCl), which was generated by photoreduction of chloroform.
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