An ESR and calorimetric study of iron oolitic samples from the Northampton ironstone

Clay Minerals ◽  
1990 ◽  
Vol 25 (3) ◽  
pp. 303-311 ◽  
Author(s):  
A. U. Gehring ◽  
R. Karthein
Keyword(s):  
Electron Spin Resonance ◽  
Electron Spin ◽  
Hyperfine Splitting ◽  
Esr Spectroscopy ◽  
Thermal Conversion ◽  
Esr Spectra ◽  
Calorimetric Study ◽  
Calorimetric Methods ◽  
Mineral Phases ◽  
Spin Resonance

AbstractElectron spin resonance (ESR) spectroscopy and calorimetric methods were used to characterize conversion processes in multimineral samples from the Northampton ironstone (NIS) at temperatures between 25°C and 800°C. The beginning of the thermal conversion processes can be determined by the formation of asymmetric ESR spectra with g ≈ 2 at 250°C. The breakdown of the berthierine structure between 250°C and 520°C is indicated by the disappearance of the hyperfine splitting in the Mn2+ spectrum and the formation of magnetite. The decomposition of siderite and calcite was found by calorimetric methods at 580°C and 700°C, respectively. The hematite formation between 550°C and 800°C is explained by the decomposition of siderite but also by the oxidation of previously formed magnetite. The occurrence of hematite as the dominant ferric oxide at 800°C signifies the end of the conversion process of the major mineral phases in the NIS samples.

Trifluoromethylphenylcarbenes. Carbene-Carbene Interconversion on the Singlet Energy Surface and Rearrangement to Trifluorobenzocyclobutene, Trifluorostyrene, and Trifluoromethylfulvenallenes

2015 ◽  
Vol 68 (1) ◽  
pp. 36 ◽  
Author(s):  
Rodney J. Blanch ◽  
Curt Wentrup
Keyword(s):  
Electron Spin Resonance ◽  
Electron Spin ◽  
Esr Spectroscopy ◽  
Energy Surface ◽  
Esr Spectra ◽  
Intersystem Crossing ◽  
Triplet States ◽  
Long Wavelength ◽  
Spin Resonance ◽  
Triplet Carbenes

The four isomeric α-, ortho-, meta-, and para-trifluoromethylphenylcarbenes were generated by photolysis of the corresponding 3-phenyl-3-trifluoromethyldiazirene 1 or the four isomeric trifluoromethylphenyldiazomethanes 2 and 4–6. The four corresponding triplet trifluoromethylphenylcarbenes 3 and 7–9 were observed by electron spin resonance (ESR) spectroscopy in Ar matrices at 14 K. The α- and ortho-carbenes 3 and 7 and the ortho- and para-carbenes 7 and 9 interconvert partially when generated by short-wavelength photolysis (350 nm) before intersystem crossing to the triplet states. The triplet states do not undergo further Carbene-Carbene interconversion. The interconversions are assumed to take place via the meta-trifluoromethylphenylcarbene 8. When the ortho- and para-carbenes are generated by long-wavelength photolysis (>450 nm), the discrete, non-interconverting triplet carbenes are observed in the ESR spectra. Flash vacuum thermolysis of the diazirene 1 at 500°C afforded a mixture of bis(trifluoromethyl)heptafulvalenes 11, bis(trifluoromethyl)stilbenes 12, and bis(trifluoromethyl)anthracenes 13, and the presence of their likely precursor(s), trifluoromethylcycloheptatetraene(s), was confirmed by a peak at 1830 cm–1 in the Ar matrix IR spectrum. In addition, at 700°C, four monomeric carbene rearrangement products were isolated and characterised, viz. 1,1,2-trifluorobenzocyclobutene 14, 1′,2′,2′-trifluorostyrene 15, and 1- and 2-trifluoromethylfulvenallenes 16 and 17.

Non-Equivalence and Inverse Allosteric Response of the α and β Chains in Haemoglobins. An Electron Spin Resonance Study of NO-Ligated Hb Kansas

1976 ◽  
Vol 31 (11-12) ◽  
pp. 664-674 ◽  
Author(s):  
Hans Twilfer ◽  
Klaus Gersonde
Keyword(s):  
Electron Spin Resonance ◽  
Spin Density ◽  
Electron Spin ◽  
Hyperfine Splitting ◽  
Esr Spectra ◽  
Type I ◽  
Type Ii ◽  
High Ph ◽  
Spin Resonance ◽  
Spectral Components

Abstract The electron spin resonance (ESR) spectra of 15NO- and 14NO-ligated Hb Kansas have been measured at 77 K in the range of pH 5 to 10. At low pH the ESR spectrum is the composite of a type I and a type II spectrum which changes to another composite of a type I and type II spectrum at high pH. For the definition of type I and type II spectra and the correlation of these types with two tertiary conformation states see Overkamp et al., Z. Naturforsch. 31 c , 524 [1976]. Both, the type I and the type II spectra observed at low and high pH respectively are different with regard to g-tensors and hyperfine-splitting constants. Therefore at intermediate pH values the ESR spectra of NO-Hb Kansas are the composites of four spectral components. The assignments of the four spectral components to the a and the β chains are arrived at from the comparison of the ESR spectra of the α2Mmet β2NO and of the α2MNO β2NO species of Hb M Iwate. α and β chains are both characterized by a pH-dependent spectral transition from a type I to a type II spectrum. The chains are non-equivalent with regard to both the type I and the type II spectra. The type I spectra assigned to the a and the β chains are characterized by g*zz = 2.0095 with a hyperfine splitting of a*zz (15NO) = 2.36 mT and gzz = 2.0085 with a hyperfine splitting of a*zz(15NO) = 2.41 mT respectively. The type II spectra assigned to the α and the β chains are characterized by g*′zz = 2.005 and a hyperfine splitting of a*′zz (15NO) = 3.07 mT and g′zz=2.005 and a hyperfine splitting of a′zz (15NO) = 3.31 mT. The change of the hyperfine splitting at gzz during the transition from type I to type II corresponds to an increase of the spin density at the NO by about 25% in both types of chains. Comparison of type I spectra of the NO-ligated α and β chains respectively demonstrates that the spin density at the NO is larger in the β chains than in the oc chains. The spectral types are correlated with functional states defined by the kinetics of NO-binding. Binding of inositol hexaphosphate has no influence on the ESR spectra in the whole range of pH as it is expected if NO-Hb Kansas is in the quaternary T structure.

Electron Spin Resonance Super-Hyperfine Splitting Study of Polycrystalline Niobocene and Vanadocene Dichlorides

1996 ◽  
Vol 61 (12) ◽  
pp. 1767-1772 ◽  
Author(s):  
Jana Holubová ◽  
Zdeněk Černošek ◽  
Ivan Pavlík
Keyword(s):  
Electron Spin Resonance ◽  
Electron Spin ◽  
Unpaired Electron ◽  
Hyperfine Splitting ◽  
Hyperfine Coupling Constant ◽  
Esr Spectra ◽  
Coupling Constant ◽  
Average Value ◽  
Spin Resonance ◽  
Vanadocene Dichloride

The electron spin resonance (ESR) spectra of niobocene and vanadocene dichlorides were studied on the title compounds prepared as magnetically diluted species in polycrystalline form. The resolved super-hyperfine splitting of anisotropic ESR spectra of both studied compounds was firstly observed. Computer simulation confirmed that this super-hyperfine splitting is due to interaction of unpaired electron with nuclear spin of two chlorine ligands. Average value of super-hyperfine coupling constant is 13.3 MHz for niobocene dichloride. For vanadocene dichloride, it is estimated to be in the range of 6-10 MHz. It corresponds approximately to 10% delocalization of metal unpaired electron spin density onto chlorine ligands in case of niobocene dichloride and to 4-7% delocalization in case of vanadocene dichloride.

FREE RADICALS OF BIOLOGICAL INTEREST: PART II. ELECTRON SPIN RESONANCE (ESR) SPECTRA OF 2537 A IRRADIATED AMINO ACIDS

1967 ◽  
Vol 45 (12) ◽  
pp. 1831-1839 ◽  
Author(s):  
W. F. Forbes ◽  
P. D. Sullivan
Keyword(s):  
Amino Acids ◽  
Electron Spin Resonance ◽  
Electron Spin ◽  
Hydrogen Abstraction ◽  
Esr Spectra ◽  
Side Chain ◽  
Biological Interest ◽  
Spin Resonance ◽  
Cyclohexadienyl Radical ◽  
Secondary Radical

Polycrystalline amino acids, when irradiated with 2537 Å light, afford a variety of electron spin resonance signals. These signals are generally stable at room temperature for relatively long periods of time. For a number of the spectra obtained, there is evidence that more than one radical species contributes to the observed spectra. The signals obtained frequently differ from those obtained on exposure to ionizing radiation. The postulated species formed can often be visualized as being formed by effective hydrogen abstraction from the alkyl-substituted tertiary carbon atom or from the —OH, —SH or —NH group contained in the side chain. For L-phenylalanine a secondary radical is obtained, which is ascribed to a cyclohexadienyl radical.

scholarly journals Antioxidant activity of Induna apple pomace extract

2005 ◽  
pp. 239-246 ◽  
Author(s):  
Sladjana Savatovic ◽  
Sonja Djilas ◽  
Vesna Tumbas ◽  
Jasna Canadanovic-Brunet ◽  
Gordana Cetkovic
Keyword(s):  
Aqueous Solution ◽  
Antioxidant Activity ◽  
Acetic Acid ◽  
Electron Spin Resonance ◽  
Hydroxyl Radicals ◽  
Electron Spin ◽  
Esr Spectroscopy ◽  
Methanol Extract ◽  
Apple Pomace ◽  
Spin Resonance

Different concentrations ofmethanol aqueous solution with or without 0.5% acetic acid and 80% acetone were used to achieve the highest yield of extraction of phenolics from Induna apple pomace. The highest content of phenolics (6.38 mg/g) was detected in the 80% methanol extract. The influence of 80% methanol extract of Induna apple pomace on stable l,l-diphenyl-2-picrylhydrazyl (DPPH) and reactive hydroxyl radicals has been investigated by electron spin resonance (ESR) spectroscopy. Based on the obtained results it can be concluded that the investigated extract is more effective in the DPPH test than on the DMPO-OH scavenging. In both cases antioxidant activity increased with increasing concentration of the investigated extract. The high contents ofphenolics (6.38 mg/g), flavonoids (1.01 mg/g) and flavan-3-ols (0.70 mg/g) in 80% methanol extract indicated that these compounds contributed to the antioxidant activity of Induna apple pomace.

Electron spin resonance observations of photochemically generated contact ammonium ion-pairs of fluoro-substituted ketones

1979 ◽  
Vol 57 (5) ◽  
pp. 600-602 ◽  
Author(s):  
K. S. Chen ◽  
T. Foster ◽  
J. K. S. Wan
Keyword(s):  
Electron Spin Resonance ◽  
Electron Spin ◽  
Ion Pairs ◽  
Esr Spectra ◽  
Ammonium Ion ◽  
Spin Resonance ◽  
Photochemical Systems

Contact radical ion-pairs of ammonium and fluoro-substituted ketones were generated in photochemical systems and their here-to-fore elusive esr spectra were characterized.

Electron Spin Resonance Investigations on Perovskite Solar Cell Materials Deposited on Glass Substrate

MRS Advances ◽  
2018 ◽  
Vol 3 (32) ◽  
pp. 1831-1836
Author(s):  
C. L. Saiz ◽  
E. Castro ◽  
L. M. Martinez ◽  
S. R. J. Hennadige ◽  
L. Echegoyen ◽  
...  
Keyword(s):  
Electron Spin Resonance ◽  
Solar Cell ◽  
Line Width ◽  
Electron Spin ◽  
Glass Substrate ◽  
Esr Spectra ◽  
Perovskite Solar Cell ◽  
Hole Transport ◽  
Ex Situ ◽  
Spin Resonance

ABSRTACTIn this article, we report low-temperature electron spin resonance (ESR) investigations carried out on solution processed three-layer inverted solar cell structures: PC61BM/CH3NH3PbI3/PEDOT:PSS/Glass, where PC61BM and PEDOT:PSS act as electron and hole transport layers, respectively. ESR measurements were conducted on ex-situ light (1 Sun) illuminated samples. We find two distinct ESR spectra. First ESR spectra resembles a typical powder pattern, associated with gx = gy = 4.2; gz = 9.2, found to be originated from Fe3+ extrinsic impurity located in the glass substrate. Second ESR spectra contains a broad (peak-to-peak line width ∼ 10 G) and intense ESR signal appearing at g = 2.008; and a weak, partly overlapped, but much narrower (peak-to-peak line width ∼ 4 G) ESR signal at g = 2.0022. Both sets of ESR spectra degrade in intensity upon light illumination. The latter two signals were found to stem from light-induced silicon dangling bonds and oxygen vacancies, respectively. Our controlled measurements confirm that these centers were generated during UV-ozone treatment of the glass substrate –a necessary step to be performed before PEDOT:PSS is spin coated. This work forms a significant step in understanding the light-induced- as well as extrinsic defects in perovskite solar cell materials.

Microscopic Study of Metal Hydrides using Electron Spin resonance

1980 ◽  
Vol 3 ◽  
Author(s):  
E. L. Venturini
Keyword(s):  
Electron Spin Resonance ◽  
Electron Spin ◽  
Metal Hydrides ◽  
Esr Spectra ◽  
Spectroscopic Technique ◽  
Host Lattice ◽  
Hydrogen Ions ◽  
Spin Resonance ◽  
Symmetry Phase ◽  
Paramagnetic Ions

ABSTRACTElectron spin resonance (ESR) of dilute paramagnetic ions in nonmagnetic metallic hydrides provides microscopic information about the hydrogen ions in the immediate vicinity of the impurity. By comparing ESR spectra for different host metals and several hydrogen/metal ratios, one can determine material properties including host lattice symmetry, phase boundaries and occupation of available sites by hydrogen. Examples are presented of ESR of dilute Er in group IIIB and IVB metal hydrides, demonstrating the sensitivity and versatility of ESR as a spectroscopic technique.

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