Search results for "cyclic"
showing 10 items of 2439 documents
Interplay of acidity and ionic liquid structure on the outcome of a heterocyclic rearrangement reaction
2021
The study of suitable probe reactions is a powerful tool to investigate the properties of nonconventional solvents such ionic liquids (ILs). In particular, we studied the acid-catalyzed mononuclear rearrangement of heterocycles (MHR) of the Z-phenylhydrazone of 5-amino-3-benzoyl-1,2,4-oxadiazole into the relevant 1,2,3-triazole, in solution of ILs by means of kinetic measurements. We chose as solvents six ILs differing both in the cation and anion, in the presence of five carboxylic and sulfonic acids as catalysts. For a useful comparison, the reaction was also performed in 1,4-dioxane and methanol. In general, the reaction occurs faster in ILs, compared to conventional solvents, according …
Rearrangements of 1,2,4-Oxadiazole: “One Ring to Rule Them All”
2017
[Figure not available: see fulltext.] 1,2,4-Oxadiazoles are heterocycles characterized by low aromaticity and the presence of a weak OâN bond and are widely studied due to their tendency to rearrange into more stable heterocyclic compounds. This review covers literature from the last fifteen years, highlighting the general features of 1,2,4-oxadiazoles and their applications. Regarding the reactivity, the development of classical reactions (thermal and photochemical rearrangements) is presented in terms of synthetic utility and mechanistic insight. Among the relevant rearrangement reactions, the BoultonâKatritzky Rearrangement (BKR), Migration â Nucleophilic Attack â Cyclization (MN…
The Role of 1,3-Dipolar Cycloaddition Reactions in the Design and Synthesis of Complex Heterocyclic Scaffolds with Anti-tumor/Anti-infective Activity
2009
A three-coordinate iron–silylene complex stabilized by ligand–ligand dispersion forces
2016
The structural and bonding properties of a three-coordinate N-heterocyclic silyene (NHSi) complex of the iron(II) amide [Fe{N(SiMe3)2}2] are reported. Computational studies reveal that dispersion forces between the amido SiMe3 substituents and the isopropyl substituents on the NHSi ligand significantly enhance the stability of the complex, along with Fe-to-Si π-backbonding. peerReviewed
The spot market and implicit contracts with high-skilled wages
2010
Side‐on Coordination in Isostructural Nitrous Oxide and Carbon Dioxide Complexes of Nickel
2021
Abstract A nickel complex incorporating an N2O ligand with a rare η2‐N,N′‐coordination mode was isolated and characterized by X‐ray crystallography, as well as by IR and solid‐state NMR spectroscopy augmented by 15N‐labeling experiments. The isoelectronic nickel CO2 complex reported for comparison features a very similar solid‐state structure. Computational studies revealed that η2‐N2O binds to nickel slightly stronger than η2‐CO2 in this case, and comparably to or slightly stronger than η2‐CO2 to transition metals in general. Comparable transition‐state energies for the formation of isomeric η2‐N,N′‐ and η2‐N,O‐complexes, and a negligible activation barrier for the decomposition of the lat…
Risk assessment of exposure to organic chemicals in children and mothers using human biomonitoring
2022
Today, global chemical manufacturing is increasing each year, making environmental pollution and exposure to chemicals a serious public health problem linked to the development of many non-genetic diseases. Approximately, 70 % of chemicals consumed in Europe in 2019 were hazardous for human health. These harmful substances can enter to the food chain and remain in the environment, making humans exposed to them mainly by ingestion, inhalation or dermal exposure. Consequently, exposure to chemicals should be continuously monitored for assuring health protection of citizens by two ways: i) studying their presence in environmental compartments, such as water, food, soil or air, by environmental…
Aqueous-phase reactive species formed by fine particulate matter from remote forests and polluted urban air
2021
In the aqueous phase, fine particulate matter can form reactive species (RS) that influence the aging, properties, and health effects of atmospheric aerosols. In this study, we explore the RS yields of aerosol samples from a remote forest (Hyytiälä, Finland) and polluted urban locations (Mainz, Germany; Beijing, China), and we relate the RS yields to different chemical constituents and reaction mechanisms. Ultra-high-resolution mass spectrometry was used to characterize organic aerosol composition, electron paramagnetic resonance (EPR) spectroscopy with a spin-trapping technique was applied to determine the concentrations of ⚫OH, O2⚫-, and carbon- or oxygen-centered organic radicals, and a …
The formation, properties and impact of secondary organic aerosol: Current and emerging issues
2009
Hallquist, M. Wenger, J. C. Baltensperger, U. Rudich, Y. Simpson, D. Claeys, M. Dommen, J. Donahue, N. M. George, C. Goldstein, A. H. Hamilton, J. F. Herrmann, H. Hoffmann, T. Iinuma, Y. Jang, M. Jenkin, M. E. Jimenez, J. L. Kiendler-Scharr, A. Maenhaut, W. McFiggans, G. Mentel, Th. F. Monod, A. Prevot, A. S. H. Seinfeld, J. H. Surratt, J. D. Szmigielski, R. Wildt, J.; Secondary organic aerosol (SOA) accounts for a significant fraction of ambient tropospheric aerosol and a detailed knowledge of the formation, properties and transformation of SOA is therefore required to evaluate its impact on atmospheric processes, climate and human health. The chemical and physical processes associated wit…
On the physicochemical properties of pyridohelicenes.
2014
A comprehensive study on the physicochemical properties of a series of mono- and diaza[5]helicenes as well as mono- and diaza[6]helicenes is reported. Through the use of both computational and experimental methods, these helically chiral pyridohelicenes with the nitrogen atom(s) in various positions are characterised according to their inversion barriers, protonation constants and redox potentials. By using DFT calculations, kinetic measurements, UV/Vis titrations, cyclic voltammetry and EPR spectroscopy, a self-contained picture of their behaviour under conventional treatment by heat, acids and oxidising/reducing agents is provided.