Nitrogen Oxygen Atoms Research Articles

Retraction Notice: Synthesis and ab initio Determination of Bi1.25 V0.123 Ca 0.245 N1.24 O8 cubic structure via powder X-ray diffraction data

This paper deals with the ab initio structure determination of Bi1.25 V0.123 Ca 0.245 N1.24 O8 cubic structure from powder X-ray data using the Rietveld method, and with physical properties characterization of a related solid solution. Bi1.25 V0.123 Ca 0.245 N 1.24 O 8 obtained from the annealing of a quenched cubic high temperature of sample, is cubic crystal system and lattice a=14.1243 A; Z =4. The structure refinement converged to Rp=0.018, R wp=0.0212 GOF=0.0102. The structure is built from cationic slabs parallel to (100) faces of the cubic cell. Each cell corresponds to one slab containing a mixed Bi1.25 V0.123 Ca 0.245 cationic layer (Bi(1)) sandwiched between two equivalent bismuth layers (Bi(2)). The cohesion of the cations in the slabs results from the presence of the oxygen atoms and nitrogen atoms distributed over three sites. Six O(1) and two O(2) atoms form a slightly distorted cubical polyhedron around the mixed cationic site (Bi(1)). (Bi(2)) atoms are surrounded by seven oxygen nitrogen atoms in a very distorted polyhedron. The important delocalization of (Bi(2)) lone pairs toward the integers spaces leads to significant bonds with the adjacent slabs and to the cohesion of the structure. Bi1.25 V0.123 Ca 0.245 O8 is the low symmetry variety of a particular sample of a wide solid solution domain that, formulated Bi1.25 V0.123 Ca0.245 O8, has been investigated. The formation of this phase from the irreversible transformation of quenched on heating and the subsequent transitions and non-transition metal oxides mixed valence have been evidenced by thermo diffractometry, conductivity measurements versus temperature, dilatometer, and thermal analyses. The morphological study was carried out by SEM.

Synthesis and ab initio Determination of Bi1.25 V0.123 Ca 0.245 N1.24 O8 cubic structure via powder X-ray diffraction data

This paper deals with the ab initio structure determination of Bi1.25 V0.123 Ca 0.245 N1.24 O8 cubic structure from powder X-ray data using the Rietveld method, and with physical properties characterization of a related solid solution. Bi1.25 V0.123 Ca 0.245 N 1.24 O 8 obtained from the annealing of a quenched cubic high temperature of sample, is cubic crystal system and lattice a=14.1243 Å; Z =4. The structure refinement converged to Rp=0.018, R wp=0.0212 GOF=0.0102. The structure is built from cationic slabs parallel to (100) faces of the cubic cell. Each cell corresponds to one slab containing a mixed Bi1.25 V0.123 Ca 0.245 cationic layer (Bi(1)) sandwiched between two equivalent bismuth layers (Bi(2)). The cohesion of the cations in the slabs results from the presence of the oxygen atoms and nitrogen atoms distributed over three sites. Six O(1) and two O(2) atoms form a slightly distorted cubical polyhedron around the mixed cationic site (Bi(1)). (Bi(2)) atoms are surrounded by seven oxygen nitrogen atoms in a very distorted polyhedron. The important delocalization of (Bi(2)) lone pairs toward the integers spaces leads to significant bonds with the adjacent slabs and to the cohesion of the structure. Bi1.25 V0.123 Ca 0.245 O8 is the low symmetry variety of a particular sample of a wide solid solution domain that, formulated Bi1.25 V0.123 Ca0.245 O8, has been investigated. The formation of this phase from the irreversible transformation of quenched on heating and the subsequent transitions and non-transition metal oxides mixed valence have been evidenced by thermo diffractometry, conductivity measurements versus temperature, dilatometer, and thermal analyses. The morphological study was carried out by SEM.

Organic-inorganic interactions in the system ofpyrrole-hematite-water at elevated temperaturesand pressures

Abstract The distribution and abundance of pyrrolic compoundsin sediments and crude oils are most likely influencedby inorganic sedimentary components. In thispaper, thermal simulation experiments on the systempyrrole-hematite-water were carried out at elevated temperaturesand pressures in order to investigate the effectof organic-inorganic interactions on the preservationof pyrrolic compounds. Compositions of the reactionproducts were analyzed with GC-MS and GC-FIDmethods. In the closed system pyrrole-hematite-water, thenitrogen-oxygen exchange obviously occurred at temperaturesabove 350ºC in accordance with the thermochemicalcalculation. Large amounts of furan and ammonia weregenerated after simulation experiments, indicating thatthe conversion of pyrrole into furan was the dominant reaction.Thermochemical exchange effect between organicnitrogen and inorganic oxygen was obviously facilitatedby elevated temperatures and found to be catalyzed byhematite, but inhibited by the increasing volume of water.Thermodynamically water spontaneously reacts with pyrroleabove 300ºC. The reaction of pyrrole-hematite-wateris an exothermic process in which the reaction heat positivelycorrelates with temperature. The heat released wasestimated as 9.0 KJ/(mol) pyrrole - 15.0 KJ/(mol) pyrrole intypical oil reservoirs (100ºC–150ºC) and 15.0–23.0 KJ/(mol)pyrrole in typical gas reservoirs (150ºC–200ºC). The calculatedactivation energy of the nitrogen-oxygen atom exchangeis about 129.59 kJ/mol. According to the experimentalresults, a small amount of water may effectivelyinitiate the nitrogen-oxygen exchange. The study wouldimprove our evaluating of the preservation and fate ofpyrrolic compounds in deeply buried geologic settings andfurther understanding of thermochemical processes behindthe degradation of petroleum.

Synthesis, crystal structures, and spectral characterization of tetranuclear Mn(II) complex with a new Schiff base ligand and molecular dynamics studies on inhibition properties of such Schiff base

A new Schiff base ligand H2L (3,5-dibromosalicylaldehyde pyridine-2-formyl hydrazone) and a new tetra-nuclear coordination complex [Mn4(L)4(DMF)4] (1) have been synthesized and characterized by spectral method (IR), fluorescence spectra, and elemental analysis. Structural characterization of the complex has been done by single-crystal X-ray diffraction analysis. Structural analysis reveals that the metal centers in complex [Mn4(L)4(DMF)4](1) exhibit distorted tetragonal-bipyramid coordination geometry, and each metal ion is coordinated by two mutually perpendicular Schiff base ligands (H2L) and one solvent DMF. The molecular dynamics (MDs) simulations method was performed to study the adsorption behavior of the H2L molecules on metal surface. The results show that the H2L molecules could adsorb on the metal surface firmly through several reactive sites. The analysis of pair correlation functions indicates that chemical bonds are formed between the oxygen nitrogen atoms of H2L molecules and the Fe atoms of Fe surface. These cause the result that H2L molecules interact with metal surface strongly and therefore have excellent corrosion inhibition performance.

The synthesis of N2O2-Schiff base ligand and bulk liquid membrane transport of Cu2+

New Schiff base (N2O2) containing nitrogen–oxygen atoms was designed and synthesized by the reaction of 5-amino-2-methoxy-phenol with terephthaldialdehyde. Transport of copper ion across bulk chloroform membrane containing (N2O2) as carrier has been studied. The parameters influencing the transport efficiency such as composition of receiving phase, pH of the feed phase, carrier concentration in the membrane, EDTA concentration in the receiving phase, effect of stirring speed, effect of temperature and time dependency of the process were studied and discussed. The selectivity of the processes toward copper ions were tested by performing the competitive transport experiments on the mixture containing Pb2+, Ni2+, Cd2+, Zn2+ and Co2+ ions. The amount of copper transport through the liquid membrane after 90min was 99% at 25°C.

Receptor Regulatory Properties Evident in the Molecular Similarity of β‐Adrenergic Receptor Ligands and Adenosine Triphosphate

A degree of structural similarity is sometimes apparent between molecules that induce or antagonize pharmacologic responses and those responsible for effector action. Ligands selective for histamine receptors, for example, relate to purine nucleotide structure. Furthermore, histamine shows structural similarity to the nitric oxide synthetase substrate, arginine. Acetylcholine also initiates cell responses by binding to a guanine nucleotide-coupled receptor protein and activates the enzyme nitric oxide synthetase. Muscarinic receptor ligands are here compared with purine nucleotide and arginine structures. Relative configurations of acetylcholine, muscarinic agonists, muscarinic antagonists and guanosine triphosphate (GTP) show similarity in their relative configurations. The quaternary nitrogen, ester and carbonyl oxygen atoms in low-energy conformers of acetylcholine, superimpose on primary nitrogen and oxygen atoms of the a-phosphate group in GTP with a high degree of fit. The quaternary or tertiary nitrogen and negatively charged atoms in muscarinic agonists and antagonists show the same fit to the guanine nucleotide. In a similar low-energy conformer of acetylcholine, the same atomic groups relate to the minimum energy conformer of arginine; oxygen atoms in acetylcholine superimpose on nitrogen atoms in the guanidinum group of arginine on the basis of charge. A pharmacophore common to acetylcholine and other muscarinic ligands relates to regulator and substrate molecules involved in signal transduction at muscarinic receptors and nitric oxide generation.

Synthesis and Characterization of Amino Alcohol Complexes

Thirty-eight amino alcohol complexes were prepared and analyzed in the mole ratios 1 ; 1, 1 ; 2 and 2 3 (M ; L). The IR spectra proved that coordination occurs via oxygen nitrogen atoms of the ligands. The nujol mull electronic absorption spectra and the room temperature magnetic moment values proved that the complexes are of O h and T d geometry. All complexes, except those of Zn II , Cd II and Hg II are high spin with the existence of a Cu-Cu interaction in the copper complexes. The ESR parameters are calculated including the c-bond parameter ( f 2 ) and the fraction of 3 d character in the Cu II 3 d -4S ground state ( f 2 ) of the axial compressed triethanolamine complexes.

Electrochemical, spectroscopic and structural characterization of the mer isomer of ammonium bis(pyruvic acid thiosemicarbazone)cobalt(III)·benzene

The crystal structure is reported of ammonium bis(pyruvic acid thiosemicarbazone)cobalt(III)·benzene, CoS 2O 4N 6C 16H 16, which forms dark red triclinic crystals with unit cell parameters: a=9.307(2), b=9.555(2), c=14.729(3) Å, α=67.04(1), β=118.89(2), γ=79.09(1)°, V=932.9(2) Å 3, space group P 1 . The final R factor for 3948 observed reflections is 3.1%. The distorted octahedral complex is held together by a hydrogen bonding system involving the ammonium and amine protons and the carboxylate oxygen and imine nitrogen atoms. The coordination polyhedron around the cobalt atom in the complex anion [Co(PVATSCH) 2] − is highly distorted from regular octahedral geometry as evidenced by the fact that the bond angles about the cobalt atom range from 83.40(6) to 96.75(5)°. The isolated meridional isomer contains a cis placement of the sulfur donor atoms with puckered ligand moieties arising from the non-planar hydrazinic chain with a folding angle of ca. 4° across the sulfur-nitrogen and oxygen-nitrogen atoms. The ligand H 2PVATSC provides a strong ligand field and thus results in a low spin cobalt(III) complex. The complex undergoes a reversible one-electron reduction at the metal center.

CNChemiluminescence in Reactions between Active Nitrogen—Oxygen Atom Mixtures and Some Carbon Containing Compounds

<i>CN</i>Chemiluminescence in Reactions between Active Nitrogen—Oxygen Atom Mixtures and Some Carbon Containing Compounds