The NMR and ESR Spectra of Sulphonic Acids and their Derivatives

2006 ◽  
pp. 197-247 ◽  
Author(s):  
Alan R. Bassindale ◽  
James N. Iley
Keyword(s):  
Esr Spectra

Kinetics of the Thermal Disappearance of Radicals Formed During the Radiolysis of Aspartic Acid

2009 ◽  
Vol 59 (12) ◽  
Author(s):  
Mihai Contineanu ◽  
iulia Contineanu ◽  
Ana Neacsu ◽  
Stefan Perisanu
Keyword(s):  
Thermal Resistance ◽  
Aspartic Acid ◽  
Room Temperature ◽  
Esr Spectra ◽  
Complex Mechanism ◽  
Radical Species ◽  
Mechanisms Of Formation ◽  
Kinetics Of

The radiolysis of the isomers L-, D- and DL- of the aspartic acid, in solid polycrystalline state, was investigated at room temperature. The analysis of their ESR spectra indicated the formation of at least two radicalic entities. The radical, identified as R3, resulting from the deamination of the acid, exhibits the highest concentration and thermal resistance. Possible mechanisms of formation of three radical species are suggested, based also on literature data. The kinetics of the disappearance of radical R3 indicated a complex mechanism. Three possible variants were suggested for this mechanism.

Photolytic and thermal annealing of radical anions gamma-irradiated monocarboxylic acids

1979 ◽  
Vol 44 (12) ◽  
pp. 3632-3643 ◽  
Author(s):  
Karel Mach ◽  
Igor Janovský ◽  
Karel Vacek
Keyword(s):  
Thermal Annealing ◽  
Pivalic Acid ◽  
Esr Spectra ◽  
Paramagnetic Species ◽  
Radical Anions ◽  
Γ Irradiation ◽  
Before And After ◽  
Optical Bleaching ◽  
The Difference ◽  
Gamma Irradiated

Total yields of paramagnetic species, their optical bleaching and thermal annealing in acetic, propionic, a-butyric, isobutyric, and pivalic acid γ-irradiated at 77 K were followed by ESR spectroscopy. Radical anions, always found after irradiation, disappear during optical bleaching without formation of any paramagnetic product. During thermal annealing they are converted almost quantitatively into the α-radicals of the respective acid, with the exception of pivalic acid. Amounts of radical anions were estimated from the difference of integrated ESR spectra taken before and after optical bleaching. The results show that approximately equal amounts of the reduction and oxidation paramagnetic products of the γ-irradiation can be detected.

Electrochemical behaviour and ESR spectra of nitro substituted mono- and dibenzoylmethylenebenzthiazolines and selenazolines

1979 ◽  
Vol 44 (5) ◽  
pp. 1540-1551 ◽  
Author(s):  
Jaro Komenda ◽  
Jiří Huzlík
Keyword(s):  
Electron Transfer ◽  
Esr Spectroscopy ◽  
Electrochemical Behaviour ◽  
Spectroscopic Studies ◽  
Esr Spectra ◽  
Slow Electron

Compounds of the type of 2-(4'-nitrobenzoyl)methylene-3-ethylbenzothiazoline (I) and 2-bis-(p-nitrobenzoyl)methylene-3-ethylbenzothiazoline (II) were studied polarographically and by ESR spectroscopy to obtain informations about their electrochemical and follow-up reactions and their conformation. Whereas with compounds of the type I the conjugation in their molecules is preserved, with type II the coplanarity of the molecules is disturbed, which is manifested in the values of the splitting constants of the ESR spectra and a slow electron transfer between both nitrophenyl substituents. These conclusions are supported by NMR spectroscopic studies.

Intermolecular hydrogen transfer in unsaturated hydrocarbons induced by dimeric titanocene

1983 ◽  
Vol 48 (10) ◽  
pp. 2924-2936 ◽  
Author(s):  
Karel Mach ◽  
Lidmila Petrusová ◽  
Helena Antropiusová ◽  
Vladimír Hanuš ◽  
František Tureček ◽  
...  
Keyword(s):  
Hydrogen Transfer ◽  
Titanium Content ◽  
Esr Spectra ◽  
Stable Complex ◽  
Catalytic Complex ◽  
Substitution Reactions ◽  
Unsaturated Hydrocarbons ◽  
Linear Alkanes ◽  
Saturated And Aromatic Hydrocarbons ◽  
Intermolecular Hydrogen Transfer

μ-(η5 : η5-Fulvalene)-di-μ-hydrido-bis(η5-cyclopentadienyltitanium) and μ-(η5 : η5-fulvalene)-μ-chloro-μ-hydrido-bis(cyclopentadienyltitanium) form a thermally stable complex which catalyzes the intermolecular hydrogen transfer in unsaturated hydrocarbons, in addition to isomerizations and cyclizations. Cyclic hydrocarbons disproportionate under catalysis to saturated and aromatic hydrocarbons, while linear olefins yield predominantly linear alkanes and high molecular weight tar. The catalyst enables the hydrocarbon system to approach the thermodynamic equilibrium through a series of substitution reactions between alkyl- and allyltitanocene-like species and olefins and dienes. The catalytic complex was characterized by UV and ESR spectra. About one half of overall titanium content could be converted to mononuclear η3-allyltitanocene-like species, stable up to 400 °C. This exceptional thermal stability is ascribed to a firmly bound allyl containing ligand.

ESR study of the structure and bonding situation in thiocyanatocopper(II) complexes with imidazole derivatives

1988 ◽  
Vol 53 (1) ◽  
pp. 56-60
Author(s):  
Anna Mašlejová ◽  
Reinhard Kirmse
Keyword(s):  
Unpaired Electron ◽  
Hyperfine Splitting ◽  
Esr Spectra ◽  
Ligand Field ◽  
Imidazole Derivatives ◽  
Bonding Parameters ◽  
Monomeric Complex ◽  
Structure And Bonding ◽  
Frozen Solutions ◽  
Planar Symmetry

ESR spectra of thianatocopper(II) complexes with imidazole derivatives were studied in ethanolic solutions at 295 and 123 K. Axialsymmetric spectra, attributed to the monomeric complex units, were obtained for the frozen solutions. The bonding parameters were interpreted by using calculated g, Cu-hyperfine, and 14N-ligand hyperfine splitting values. The Cu-N bond parameters indicate a considerable delocalization of the unpaired electron. The values of the isotropic Cu-hyperfine splitting suggest that the deviations from the planar symmetry of the CuN4 units are due to tetrahedral perturbation of the ligand field.

Association of radical anion with alkali cations. IV. ESR study of the 4-nitrobenzophenone radical anion

1980 ◽  
Vol 45 (2) ◽  
pp. 369-375 ◽  
Author(s):  
Stanislav Miertuš ◽  
Ondrej Kyseľ
Keyword(s):  
Hyperfine Splitting ◽  
Radical Anion ◽  
Esr Spectroscopy ◽  
Supporting Electrolyte ◽  
Esr Spectra ◽  
Proton Donor ◽  
Alkali Cations

The 4-nitrobenzophenone radical anion prepared by electrolysis was studied by ESR spectroscopy. On the basis of the interpretation of ESR spectra, the conformation of this system was estimated. The effect of the concentration of supporting electrolyte and of the presence of a proton-donor agent (C2H5OH) was examined. It is assumed that changes in hyperfine splitting constants are caused by association.

An ESR study of the peroxidase reaction catalyzed by human methaemoglobin and methaemoglobin-haptoglobin complex

1991 ◽  
Vol 56 (4) ◽  
pp. 923-932
Author(s):  
Jana Stejskalová ◽  
Pavel Stopka ◽  
Zdeněk Pavlíček
Keyword(s):  
Hydrogen Peroxide ◽  
Ascorbic Acid ◽  
Amino Acid ◽  
Peroxidase Activity ◽  
Amino Acid Analysis ◽  
Superoxide Radical ◽  
Esr Spectra ◽  
The Other ◽  
Delocalized Electron

The ESR spectra of peroxidase systems of methaemoglobin-ascorbic acid-hydrogen peroxide and methaemoglobin-haptoglobin complex-ascorbic acid-hydrogen peroxide have been measured in the acetate buffer of pH 4.5. For the system with methaemoglobin an asymmetrical signal with g ~ 2 has been observed which is interpreted as the perpendicular region of anisotropic spectrum of superoxide radical. On the other hand, for the system with methaemoglobin-haptoglobin complex the observed signal with g ~ 2 is symmetrical and is interpreted as a signal of delocalized electron. After realization of three repeatedly induced peroxidase processes the ESR signal of the perpendicular part of anisotropic spectrum of superoxide radical is distinctly diminished, whereas the signal of delocalized electron remains practically unchanged. An amino acid analysis of methaemoglobin along with results of the ESR measurements make it possible to derive a hypothesis about the role of haptoglobin in increasing of the peroxidase activity of methaemoglobin.

Niobocene Dichloride and Niobocene Diiodide: Electronic Absorption Spectra and Electron Spin Resonance

1998 ◽  
Vol 63 (5) ◽  
pp. 628-635 ◽  
Author(s):  
Jana Holubová ◽  
Zdeněk Černošek ◽  
Ivan Pavlík
Keyword(s):  
Absorption Spectra ◽  
Electronic Absorption ◽  
Electronic Absorption Spectra ◽  
Point Group ◽  
Esr Spectra ◽  
Ligand Field ◽  
Orbital Interaction ◽  
Symmetry Point Group ◽  
Spin Orbital ◽  
Halide Ligands

The effect of the halide ligand on the bonding of niobium in niobocene dichloride and niobocene diiodide was investigated. The electronic absorption spectra of the two compounds in the range of d-d transitions were resolved into four bands corresponding to transitions of the d1 electron between five frontier orbitals in a molecule of symmetry point group C2v. The energies of the frontier molecular orbitals were determined relatively to the energy of the orbitals in the spherically symmetric ligand field formed by the appropriate halide ligands. The effect of the halide ligands on the spin-orbital interaction of the HOMO orbital is discussed qualitatively on the basis the ESR spectra.

ESR STUDY OF SPIN-HAMILTONIAN PARAMETERS AND CRYSTAL FIELD ENERGY LEVELS FOR THE LOW C3 SYMMETRY Fe3+ CENTER IN GREEN SAPPHIRE CRYSTALS AND POWDER

2007 ◽  
Vol 21 (04) ◽  
pp. 225-236 ◽  
Author(s):  
P. LIMSUWAN ◽  
N. UDOMKAN ◽  
P. WINOTAI
Keyword(s):  
Rotation Angle ◽  
Energy Levels ◽  
Heat Treating ◽  
Esr Spectra ◽  
Field Energy ◽  
Hamiltonian Matrix ◽  
Magnetic Field Direction ◽  
Spin Hamiltonian ◽  
Corundum Structure ◽  
Hamiltonian Parameters

In this report, Fe 3+ impurity ions present in green sapphire ( Al 2 O 3) were studied experimentally, by heating a light green sapphire in flowing oxygen atmosphere for 12 h from 1200, 1300, 1400, 1500 and 1600°C, respectively. Electron spin resonance (ESR) spectra in X-band (~9.45 GHz ) were recorded by mounting the crystal with the c-axis perpendicular (θ = 90°) to the magnetic field direction. The spectra were recorded and simulated by a numerical diagonalization of spin Hamiltonian matrix in the range from 0 to 180 degrees for every 15 degrees of rotation angle (φ). In our case, only the last two sets of peaks strongly depend on the rotation angle (φ), and each exhibits C 3 symmetry due to two magnetically inequivalent Fe 3+ sites in the corundum structure. For polycrystalline ESR spectra, seven main Fe 3+ ESR absorption peaks occur at the resonance magnetic fields of 100.20, 310.24, 486.80, 525.00, 550.60, 761.00 and 777.00 mT respectively. Specifically, ESR signals show that the number of paramagnetic Fe 3+ ions increase roughly linearly with the heat treating temperature, having the [Formula: see text] ratio ~1.41 at 1600°C.

Radiation Damage in Calcium Phosphates and Collagen: An Interpretation of ESR Spectra

1971 ◽  
Vol 46 (2) ◽  
pp. 229 ◽  
Author(s):  
B. V. Fisher ◽  
R. E. Morgan ◽  
G. O. Phillips ◽  
H. W. Wardale
Keyword(s):  
Radiation Damage ◽  
Calcium Phosphates ◽  
Esr Spectra
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