Two new cocrystals of 1,4-diazabicyclo[2.2.2]octane (DABCO, CHN) with 1,2-diiodoethene (1,2-CHI) and 1,2-diiodoethane (1,2-CHI) complete a series of halogen-bond-assisted cocrystals which started with DABCO·CI [Perkins et al. (2012). CrystEngComm, 14, 3033-3038]. The structural and computational analysis of this series illustrate the correlation between the polarization of the I atom and the hybridization of the C atom bound to it. The formation of a rather stable halogen bond by the alkylic iodide of saturated 1,2-CHI was unusual and respective cocrystals are formed only in nonpolar solvents, while, in the polar medium of acetonitrile, a very intense reaction of DABCO quaternization takes place resulting in 1-(2-iodoethyl)-4-aza-1-azoniabicyclo[2.2.2]octane triiodide, CHIN·I or [N(CHCH)N-CHCHI][I].
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http://dx.doi.org/10.1107/S2053229622009949 | DOI Listing |
Alzheimers Dement
December 2024
Department of Pharmaceutical Sciences and Drug Research, Punjabi University, Patiala, Patiala, India.
Background: Neuroinflammation plays an important role in progression of Alzheimer's disease (AD). Interlukin-6 (IL-6) is well identified marker in initiating and regulating inflammation, and formation of senile plaques in brain. Therefore, simultaneous inhibition of both IL-6 and acetylcholinesterase (AChE) may be an effective strategy for AD.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
January 2025
Department of Chemistry United States Air Force Academy,Colorado Springs CO 80840 USA.
In the title compound, CHFO, a central -hybridized carbon atom is decorated with three hepta-fluoro-2-meth-yloxy(cyclo-pent-1-ene) arms and a methyl group. The primary packing is determined by C-F⋯F-C inter-actions, forming [001] chains, which are consolidated weaker C-F⋯F-C and C-H⋯F-C contacts. A Hirshfeld surface analysis was conducted to aid in the visualization of these various influences on the packing: this revealed that the largest contribution to the surface contacts arises from F⋯F inter-actions (53.
View Article and Find Full Text PDFJ Phys Chem C Nanomater Interfaces
December 2024
Instituto IMDEA Nanociencia, Calle Faraday 9, 28049 Madrid, Spain.
Graphene adsorbed on Ru(0001) has been widely used as a template for adsorbing and isolating molecules, assembling organic-molecule structures with desired geometric and electronic properties and even inducing chemical reactions that are challenging to achieve in the gas phase. To fully exploit the potential of this substrate, for example, by being able to tune a graphene-based catalyst to perform optimally under specific conditions, it is crucial to understand the factors and mechanisms governing the molecule-substrate interaction. To contribute to this effort, we have conducted a combined experimental and theoretical study of the adsorption of cyanomethyl radicals (-CHCN) on this substrate below room temperature by performing scanning tunneling microscopy experiments and density functional theory simulations.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou, China.
Carbon atom has different bonding modes, which provides the possibility for the existence of multilayer carbon allotropes. Among these bonding modes, the sp hybrid bonding mode often causes atoms to be noncoplanar. This provides the possibility for the emergence of two-dimensional (2D) multilayer materials.
View Article and Find Full Text PDFLangmuir
December 2024
Laboratory of Biomimetic Catalysis and Hybrid Materials, Department of Chemistry, University of Ioannina, Panepistimioupoli, Ioannina GR-45110, Greece.
Hydrogen atom transfer (HAT) and single electron transfer (SET) are two fundamental pathways for antiradical/antioxidant processes; however, a systematic operational evaluation of the same system is lacking. Herein, we present a comparative study of the HAT and SET processes applied to a library of well-characterized hybrid materials SiO@GA, SiO@GLA, SiO@GLAM, and the doubly hybrid material {GLA@SiO@GLAM}. Hydroxyl radicals (OH), produced by a Fenton system, react via the single electron transfer (SET) pathway and hydrogen atom transfer, through oxygen- and carbon-atoms, respectively, while the stable-radical DPPH via the HAT pathway through oxygen-atoms.
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