Isoprene (CH) globally accounts for half of the non-methane hydrocarbon flux into Earth´s atmosphere. Its degradation is mainly initiated by the gas-phase reaction with OH radicals yielding a complex system of RO radicals. Subsequent product formation is not conclusively understood yet. Here we report the observation of C- and C-products from OH + isoprene bearing at least two functional groups. Their production is initiated either by the reaction of initially formed δ-RO radicals with NO or by 1,6 H-shift isomerization of Z-δ-RO radicals. Both reaction channels also form highly oxygenated molecules (HOMs), which could be important for the generation of secondary organic aerosol. CHO and CHO radicals represent the main precursors of closed-shell HOMs. Global simulations revealed that the isoprene-derived HOM-RO production is comparable with that of α-pinene, currently regarded as very important HOM source. This study provides a more complete insight into isoprene´s degradation process including the HOM formation.
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http://dx.doi.org/10.1038/s41467-025-57336-1 | DOI Listing |
Mol Pharm
March 2025
Department and Institute of Urology, Tongji Hospital, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, China.
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View Article and Find Full Text PDFJ Phys Chem A
March 2025
Department of Chemistry, Graduate School of Science, Tohoku University, Sendai 980-8578, Japan.
The hemibond, a nonclassical covalent bond involving three electrons shared between two centers, has attracted considerable attention due to its significance in radiation chemistry. Water radical cation clusters, [HO-X], exhibit two primary bonding motifs: the hemibond and the hydrogen bond. Although hydrogen bond formation typically dominates, recent studies have identified instances of hemibond formation in some systems involving water molecules.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
March 2025
University of Oulu: Oulun Yliopisto, NMR Research Unit, FINLAND.
Reduction of the germole-ligated sandwich complexes [(η5-CpGe)M(η5-Cpttt)]2 (1M, M = Y, Gd, Dy) with one or two equivalents of KC8/2.2.2-cryptand produces [(η5-CpGe)M(η5-Cpttt)2]- (2M) and [(η5-CpGe)M(η5-Cpttt)2]2- (3M), respectively, as salts of [K(2.
View Article and Find Full Text PDFJ Am Chem Soc
March 2025
CAS Key Laboratory of Molecular Nanostructure and Nanotechnology, CAS Research/Education Center for Excellence in Molecular Sciences, Beijing National Laboratory for Molecular Sciences (BNLMS), Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China.
Surface-catalyzed polymerization is crucial in both chemical science and industrial manufacturing, yet achieving regioselective radical polymerization on the surface remains challenging. Here, we demonstrate the regioselective Ullmann polymerization of nonsymmetrical 2,8-dibromoquinoline (DBQ) on an Au(111) surface. By combining scanning tunneling microscopy, density functional theory calculations, and kinetic modeling, we reveal the regioselectivity and its evolution with surface temperature at the molecular level.
View Article and Find Full Text PDFOrg Biomol Chem
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National & Local Joint Engineering Research Center for Mineral Salt Deep Utilization, Huaiyin Institute of Technology, Huaian 223003, China.
A novel, efficient and sustainable methodology involving visible-light-mediated construction of pyrazolo[4,3-]pyrimidin-7(6)-ones from easily available 4-amino-1-methyl-3-propyl-1-pyrazole-5-carboxamide and aldehydes in the presence of 4CzIPN under an oxygen atmosphere has been developed. This photocatalytic system worked under mild conditions and avoided the use of any excess amount of toxic oxidants and transition metals. A variety of functionalized products were obtained in good to excellent yields.
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