Theoretical investigations are performed on mechanism and kinetics of the reaction of halogen peroxy radical ClOO with NO radical. The electronic structure information for both of the singlet and triplet potential energy surfaces (PESs) is obtained a...
This article studies the effects of arsine on the synthesis and thermal degradation of 4 samples of virgin polypropylene (PP-virgin) and proposes reaction mechanisms that allow understanding of its behaviour. Different points are monitored during the...
Synthesis of new chromium(II) complexes with chelating bis(alkoxide) ligand [OO]Ph (H2[OO]Ph = [1,1′:4′,1′’-terphenyl]-2,2′’-diylbis(diphenylmethanol)) and their subsequent reactivity in the context of catalytic pr...
In cold methanol, energetic ionic liquid 1-n-propyl-3-vinyl-imidazol-1-ium perchlorate, 1, crystallizes in the presence of excess Ba(ClO4)2, 2, into tetrakis 1-propyl-3-vinyl-imidazol-1-ium·barium hexa-perchlorate, 3. Crystals of 3, with molec...
The structural aspects of homo-chromophores in Cu(I)(XXX) complexes, where X3 = N3, C3, Cl3, S3, P3, Br3, or I3, are analyzed in this study. These copper(I) derivatives crystallize in five distinct crystal systems as follows: rhombohedral (1 example)...
Acquiring full knowledge of the reactivity of 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) is crucial for the better understanding of the transformation and degradation of TCDD-like dioxins in the environment. To clarify the reactivity of the organic h...
The conversion reaction of NO to NO3− ion catalyzed by the end-on [Cr(III)(n-TMC)(O2)(Cl)]+ superoxo and side-on [Cr(IV)(n-TMC)(O2)(Cl)]+ peroxo non-heme complexes (n = 12, 13, 14 and 15), which are biomimetic systems of nitric oxide dioxygenas...
The reaction of 2,2-dimethylpropane-1,3-diamine (dmpn) with an excess of concentrated aqueous hydrochloric acid yielded colorless crystals of 2,2-dimethylpropane-1,3-diaminium dichloride, dmpnH2Cl2 (1), in addition to small amounts of a monohydrate,...
Iron ion is the common transition metal ion in atmospheric aerosol, which can affect the components and optics of secondary organic aerosol (SOA). In the current study, the atmospheric photooxidation of toluene to produce SOA in the presence of ferri...
The Biche-Kadyr-Oos epithermal Au-Ag ore occurrence is a prospective object in the Ak-Sug porphyry copper ore cluster (Eastern Sayan) in the northern part of the Central Asian orogenic belt (CAOB). The mineralization consists of gold-sulfide-quartz a...
Peroxo-heteropoly compound PO4[W(O)(O2)2] was synthesized on calcium-deficient hydroxyapatite using a reaction of surface [HPO4]2− groups on hydroxyapatite with a Na2[W2O3(O2)4] aqueous solution. The vibration of [HPO4]2− at 875 cm−...
Heterobimetallic complexes of an ambidentate deferiprone derivative, 3-hydroxy-2-methyl-1-(3-((pyridin-2-ylmethyl)amino)propyl)pyridin-4(1H)-one (PyPropHpH), incorporating an octahedral [Co(4N)]3+ (4N = tris(2-aminoethyl)amine (tren) or tris(2-pyridy...
Advanced oxidation processes (AOPs) demonstrate great micropollutant degradation efficiency. In this study, CuFe2O4 was successfully used to activate peracetic acid (PAA) to remove Rhodamine B. Acetyl(per)oxyl radicals were the dominant species in th...
We synthesized 1,8-bis(2,2′:6′,2″-terpyrid-4′-yl)anthraquinone (btpyaq) as a new dimerizing ligand and determined its single crystal structure by X-ray analysis. The dinuclear Ruthenium complex [Ru2(µ-Cl)(bpy)2(btpyaq)](BF4)3 ([3](BF4)3, bpy = 2,2′-b...
This study investigates anion–anion assemblies involving perhalate anions, XO4− (X = Cl, Br, I), in crystal structures retrieved from the Cambridge Structural Database to clarify the nature of the intermolecular interactions frequently in...
In chlorination disinfection treatment, residual iodinated X-ray contrast media (ICMs) are the precursors to iodinated disinfection by-products (I-DBPs). This study employed CoFe2O4 nanoparticle catalytic peracetic acid oxidation (CoFe2O4/PAA) to rem...
Advanced oxidation processes (AOPs) are effective ways to degrade refractory organic contaminants, relying on the generation of inorganic radicals (e.g., •OH and SO4•−). Herein, a novel AOP with organic radicals (R-O•) was report...
In the present work, a novel heterocyclic hybrid of a spirooxindole system was synthesized via the attachment of ferrocene and triazole motifs into an azomethine ylide by [3 + 2] cycloaddition reaction protocol. The X-ray structure of the heterocycli...
The new homoleptic [Ag(5-nitroquinoline)2]ClO4 centrosymmetric complex was synthesized and its structure aspects were investigated. It crystallized in the monoclinic space group C2/c with a = 10.0279(2) Å, b = 13.2295(3) Å, c = 14.7552(3)...
Treatment of 3,4-(ClC(O))2-cC4H2S (1) with [FcCH2OLi] (2-Li) (Fc = Fe(η5-C5H5)(η5-C5H4)) in a 1:2 ratio gave 3,4-(FcCH2OC(O))2-cC4H2S (3). Compound 3 decomposes in solution during crystallization to produce FcCH2OH (2) along with 3,4-thiophen...
Mononuclear nonheme iron(IV)–oxo species supported by mixed nitrogen–sulfur (N/S) ligands remain scarce, despite the prevalence of sulfur donors in biological iron sites and their expected impact on ferryl reactivity and catalyst design....
The success of innovative drugs depends on an interdisciplinary and holistic approach to their design and development. The supramolecular architecture of living systems is controlled by non-covalent interactions to a very large extent. The latter are...