Search results for "spin [neutron star]"
showing 10 items of 813 documents
Synthesis and Characterisation of a New Series of Bistable Iron(II) Spin-Crossover 2D Metal-Organic Frameworks
2009
Twelve coordination polymers with formula {Fe(3-Xpy)(2)[M(II)(CN)(4)]} (M(II): Ni, Pd, Pt; X: F, Cl, Br, I; py: pyridine) have been synthesised, and their crystal structures have been determined by single-crystal or powder X-ray analysis. All of the fluoro and iodo compounds, as well as the chloro derivative in which M(II) is Pt, crystallise in the monoclinic C2/m space group, whereas the rest of the chloro and all of the bromo derivatives crystallise in the orthorhombic Pnc2 space group. In all cases, the iron(II) atom resides in a pseudo-octahedral [FeN(6)] coordination core, with similar bond lengths and angles in the various derivatives. The major difference between the two kinds of str…
Breaking the semi-quinoid structure: spin-switching from strongly coupled singlet to polarized triplet state.
2014
2,7-TMPNO (4,5,9,10-tetramethoxypyrene-2,7-bis(tert-butylnitroxide)) was found to exist in semi-quinoid form with unprecedented strong intramolecular magnetic exchange interaction of 2 J/kB = 1185 K operating over a distance of 10 A. Structural transformations with the activation energy of ΔEeq = 949 K were observed by varying the temperature, from more quinoid structure at low temperature to more biradicaloid structure at higher temperature. Moreover, this molecule undergoes a transient spin transition from singlet to polarized triplet state upon photoexcitation revealed by TREPR spectroscopy. The spin Hamiltonian parameters were determined to be S = 1, g = 2.0065, D = -0.0112 cm(-1), and …
Spectral investigation of spin echo emission
1993
Abstract The spectral content of the echo radiation emitted after a two-pulse sequence is measured in a two-level spin system. The spectral profiles exhibit maxima and zeroes of spectral density depending on the exciting sequence parameters. A calculation based on a vectorial model relates the zeroes to those packets that happen to be transparent to the second (refocusing) pulse. Moreover we report on a new spectral narrowing effect which we tentatively ascribe to the instantaneous diffusion.
Thermodynamics of the spin transition in [FexZn1−x(2-pic)3]Cl2 · EtOH
1992
Abstract With a new type of calorimeter we reinvestigated the specific heat Cp of the mixed crystals [FexZni1−x(2-pic)3]Cl2 · EtOH in the temperature range from 15 to 300 K. On the basis of a phenomenological thermodynamic model the anomaly in the Cp(T) curve of the mixed crystal (x = 0.73) can be quantitatively described as a result of the spin transition (1A1(low spin, LS) → 5T2(high spin, HS)). The parameters of the Gibbs free energy were independently derived from the temperature dependence of the HS fraction γ in [FexZn1−x(2-pic)3]Cl2 · EtOH. The pure iron complex (x = 1) exhibits a two-step spin transition. In the temperature range between the two steps the entropy obtained from the C…
Forward doubly-virtual Compton scattering off the nucleon in chiral perturbation theory: II. Spin polarizabilities and moments of polarized structure…
2020
We examine the polarized doubly-virtual Compton scattering (VVCS) off the nucleon using chiral perturbation theory ($\chi$PT). The polarized VVCS contains a wealth of information on the spin structure of the nucleon which is relevant to the calculation of the two-photon-exchange effects in atomic spectroscopy and electron scattering. We report on a complete next-to-leading-order (NLO) calculation of the polarized VVCS amplitudes $S_1(\nu, Q^2)$ and $S_2(\nu, Q^2)$, and the corresponding polarized spin structure functions $g_1(x, Q^2)$ and $g_2(x,Q^2)$. Our results for the moments of polarized structure functions, partially related to different spin polarizabilities, are compared to other th…
Accessibility of Protein-Bound Chlorophylls Probed by Dynamic Electron Polarization
2018
The possibility to probe the accessibility of sites of proteins represents an important point to explore their interactions with specific substrates in solution. The dynamic electron polarization of nitroxide radicals induced by excited triplet states of organic molecules is a phenomenon that is known to occur in aqueous solutions. The interaction within the radical-triplet pair causes a net emissive dynamic electron polarization of the nitroxide radical, that can be detected by means of time-resolved electron paramagnetic resonance (TR-EPR) spectroscopy. We have exploited this effect to prove the accessibility of chlorophylls bound to a protein, namely, the water-soluble chlorophyll protei…
Early folding events during light harvesting complex II assembly in vitro monitored by pulsed electron paramagnetic resonance
2016
Efficient energy transfer in the major light harvesting complex II (LHCII) of green plants is facilitated by the precise alignment of pigments due to the protein matrix they are bound to. Much is known about the import of the LHCII apoprotein into the chloroplast via the TOC/TIC system and its targeting to the thylakoid membrane but information is sparse about when and where the pigments are bound and how this is coordinated with protein folding. In vitro, the LHCII apoprotein spontaneously folds and binds its pigments if the detergent-solubilized protein is combined with a mixture of chlorophylls a and b and carotenoids. In the present work, we employed this approach to study apoprotein fo…
Localization of the N-terminal Domain in Light-harvesting Chlorophyll a/b Protein by EPR Measurements
2005
The conformational distribution of the N-terminal domain of the major light-harvesting chlorophyll a/b protein (LHCIIb) has been characterized by electron-electron double resonance yielding distances between spin labels placed in various domains of the protein. Distance distributions involving residue 3 near the N terminus turned out to be bimodal, revealing that this domain, which is involved in regulatory functions such as balancing the energy flow through photosystems (PS) I and II, exists in at least two conformational states. Models of the conformational sub-ensembles were generated on the basis of experimental distance restraints from measurements on LHCIIb monomers and then checked f…
Electron paramagnetic resonance (EPR) spin trapping of biological nitric oxide
2007
Nitric oxide (NO) is a free radical species with multiple physiological functions. Because of low concentrations and short half-life of NO, its direct measurement in living tissues remains a difficult task. Electron paramagnetic resonance (EPR) spin trapping is probably one of the best suitable platforms for development of new methods for quantification of biological NO. The most reliable EPR-based approaches developed so far are based on the reaction of NO with various iron complexes, both intrinsic and exogenously applied. This review is focused on the current state and perspectives of EPR spin trapping for experimental and clinical NO biology.
Pairing energy effects in cyanide complexes of CpCrIII
1999
International audience; The steric and electronic factors responsible for the reactivity differences between CN and Cl complexes of CpCrIII were examined by DFT/B3LYP computational techniques. The energy difference between quadruplet and doublet [CpCr(CN)2(PH3)], ΔED–Q, was calculated to be 21.2 kcal mol−1 with the LanL2DZ basis set. Although the high-spin configuration is still the ground state for the cyanide complex, the energy gap is 8.7 kcal mol−1 less than that found for the corresponding chloride species. The difference between quadruplet [CpCr(CN)2(PH3)] and doublet [CpCr(CN)2(PH3)2] less free PH3, ΔECr–P, is also smaller than for the Cl system. The components of ΔECr–P for CN and C…