Heme-type porphyrins can become distorted depending on their environment, altering chemical and electronic properties. While trends have been established for several ruffle-distorted porphyrins, research synthetic models of heme-type is limited. We identified a dynamic process the ruffled porphyrin bis(2-methylpyridinato)iron(III)-Protoporphyrin-IX (2) that does not exist in bis(pyridinato)iron(III)-Protoporphyrin-IX (1). modeled these molecules as {OMP(2-CH 3 Py) 2 Fe}[Formula: see text]...

Getting high purity glycerol at a low cost from biodiesel (methylricinoleate) production is of great economic interest. Therefore, exist several strategies for raw purification. Some involve liquid-liquid extraction steps using ether, toluene, n-butanol, cyclohexanol, aniline, or solvent mixtures to remove organic impurities glycerol. However, the phase's equilibrium data not available convenient process design in some cases. This work purified obtained alkaline methanolysis castor oil by...

Using different spectroscopic techniques and computational calculations, we describe the structural electromagnetic relationship that causes many interesting phenomena within a novel coordination compound with mixed valence manganese (II, III IV) in its crystal powder state. The [MnII MnIII MnIV(HL)2(H2L)2(H2O)4](NO3)2(H2O) 1 was obtained Schiff base (E)-2-((2-hydroxybenzylidene)amine)-2-(hydroximethyl)propane-1,3-diol, (H4L), Mn(NO3)2.4H2O. reaction promoted by deprotonation of ligand soft...

The spectroscopic and kinetic characterization of two intermediates from the H₂O₂ oxidation three dimethyl ester [(proto), (meso), (deuteroporphyrinato) (picdien)]Fe(III) complexes ([FePPPic], [FeMPPic] [FeDPPic], respectively) pinch-porphyrin peroxidase enzyme models, with s = 5/2 3/2 Fe(III) quantum mixed spin (qms) ground states is described herein. study by UV/Vis at λmax 465 nm showed different types kinetics during process in guaiacol test for peroxidases (1-3 + → products). first...

Abstract Two compounds [Co 2 (pa) ( μ 1,1 ‐N 3 ) ]n 1 and 4 6 ] ), (pa=picolinamide) were obtained studied by electronic magnetic spectroscopies. is a polymer tetramer of mixed‐valence Co II/III . The N − anions act as bridges between cobalt ions in the coordination mode. UV‐Vis spectrum analysis showed octahedral distortion compounds. ESR solution spectra revealed low‐spin ground state, s =1/2 for II energy gap was J> levels, to , ; consequently, its transition would not be observed....

The presence of phenolic compounds in aquatic environments, resulting from industrial activities such as coal processing and petroleum refining, poses significant concerns due to their adverse effects on water safety, even at minimal concentrations. These present challenges during remediation using traditional techniques solvent extraction, biological treatments or chemical oxidations. In response these challenges, Advanced Oxidation Processes have emerged a promising solution, with methods...

Abstract Tautomeric equilibria at room temperature were studied for three aromatic imine polyol compounds, previously reported 2‐((2‐hydroxybenzylidene)amino)‐2‐(hydroxymethyl)propane‐1,3‐diol 1 and two new compounds 2‐(((1,3‐dihydroxy‐2‐(hydroxymethyl)propan‐2‐yl)imino)methyl)benzene‐1,4‐diol 2 3‐(((1,3‐dihydroxy‐2‐(hydroxymethyl)propan‐2 yl)imino)methyl)benzene‐1,2‐diol 3 . The dynamic behavior of these is described by a combination IR, UV‐Vis NMR spectroscopic measurements with DFT TDDFT...

The new diamagnetic complex, [Zn 2 (N 3 ) 4 (C 6 H N O) ] or (pca) (μ 1,1 -N was synthesized using pyridine-2-carboxamide and azido ligands, characterized various techniques: IR spectroscopy single-crystal X-ray diffraction in the solid state, nuclear magnetic resonance (NMR) solution. molecule is placed on an inversion centre space group P \overline{1}. pca ligand chelates metal via pyridine atom carbonyl O atom. One bridges two symmetry-related Zn 2+ cations end-on coordination mode, while...

In this work we report the synthesis, structural, electronic and magnetic characterization of [MnIV2MnII2(HL)2(H2L)2(H2O)4](NO3)2 1. This novel compound was obtained from (E)-2-((2-hydroxybenzylidene)amine)-2-(hydroximethyl-propane-1,3-diol, (H4L) Mn(NO3)2. The UV-Vis IR spectrophotometry showed typical d-d transitions MnIV in octahedral geometry compounds 1 vibrational 477 cm-1, which is assigned to Mn-O group 2. cM vs T gave J = 164 cm-1 3. ESR (g 11.03, 4.87, 1.78, g 3.23, 2.03) analysis...

In the present manuscript, we report kinetic and spectroscopic analysis of six new pinch-porphyrins: protoporphyrin-picpenta 1, mesoporphyrin-picpenta 2, deuteroporphyrin-picpenta 3, protoporphyrin-picocta 4, mesoporphyrin-picocta 5, deuteroporphyrin-picocta 6. The Michaelis-Menten enzymatic pathway guaiacol test confirmed ability compounds to function like peroxidase models. UV-vis, 1H NMR, electron spin resonance studies are in accordance with porphyrin-Fe(III) molecules quantum phenomena...

The synthesis and characterization of a novel hexacoordinated compound as product the reaction between chlorodimethylesterprotoprphyrin–Fe(III) 1 2–methylpiridine (2–CH 3 Py) was performed. [bis(o–methylpyridino)(dimethylesterprotoporphyrinato)Fe(III)] chloride 2 is family pinch–porphyrins, model peroxidase enzymes. We analyzed using UV-Vis, H NMR, EPR spectroscopies, well kinetic quantifications its activity computational analysis, to evaluate presence pinch-ligand coordinated in series...

The synthesis of 3,5-lutidine N-oxide dehydrate, 1, was achieved in the route 2-amino-pyridine-3,5-dicarboxylic acid. Ochiai first used methodology for non-substituted pyridines 1957 a 12 h process, but no X-ray suitable crystals were obtained. substituted ring presented here clearly influenced addition water molecules into asymmetric unit, which confers different nucleophilic strength 1. crystal compound 1 possible due to stabilization negative charge oxygen by presence two where hydrogen...