Search results for "SPIN STATES"
showing 10 items of 253 documents
15. Spectroscopic methods applied to zircon
2003
Natural and synthetic (pure and doped) zircon (ZrSiO4) have been studied with a variety of spectroscopic techniques. These techniques are based on different physical phenomena, for instance transitions between spin states of nuclei and electrons, energetic transitions of valence electrons, intra-molecular vibrations, or vibrations of atoms and molecular units in the lattice. All of the diverse spectroscopic techniques, however, have in common that they probe energy differences between a ground and excited states, mostly upon interaction of the mineral with incident radiation. Such interactions are not only determined by the excited elementary particles or molecules themselves but depend gre…
Dinuclear Iron(II) Spin Crossover Compounds: Singular Molecular Materials for Electronics
2006
Dinuclear spin crossover molecules can adopt three different spin-pair states: a fully diamagnetic low spin state, [LS–LS], with both iron(II) atoms in the LS state; a paramagnetic mixed spin-pair state [LS–HS]; and an antiferromagnetically coupled [HS–HS] state. Stabilisation of the [LS–HS] state depends on a subtle balance between intra- and inter-molecular interactions in the solid state, consequently, the thermal dependence of the physical and structural properties can present one-step or two-step spin transitions. The former case involves the [LS–LS] ↔ [HS–HS] transformation while in the latter case the intermediate stage responsible for the plateau, at 50% conversion between the two s…
Study of thermal spin crossover in [Fe(II)(isoxazole)(6)](BF4)(2) with Mossbauer spectroscopy
2007
Fe-57 Mossbauer spectroscopy of the mononuclear [Fe( II)( isoxazole)(6)]( BF4)(2) compound has been studied to reveal the thermal spin crossover of Fe( II) between low- spin ( S = 0) and high- spin ( S = 2) states. A temperature-dependent spin transition curve has been constructed with the least- square fitted data obtained from the Mossbauer spectra measured at various temperatures in the 240 - 60 K range during the cooling and heating cycle. The compound exhibits a temperature- dependent two- step spin transition phenomenon with T-SCO ( step 1) = 92 and TSCO ( step 2) = 191 K. The compound has three highspin Fe( II) sites at the highest temperature of study; among them, two have slightly …
Spin crossover in solid solution
1980
Abstract The temperature dependent high spin (HS) ⇌ low spin (LS) transition, otherwise called spin crossover, has been well established for many first-row transition metal complexes, particularly for complexes of iron(II) [1]. The phenomenon has been observed mostly in the crystalline state, but also in solution. The spin crossover characteristics have been found to depend on various chemical influences, such as ligand substitution, the nature of the non-coordinating anion and the crystallizing solvent. It has been shown by 57Fe Mossbauer spectroscopy that the spin crossover behaviour in the solid solutions of [FexZn1−x(2-pic)3] Cl2·EtOH (2-pic = 2-picolylamine) is also susceptible to meta…
Recent Advances of Spin Crossover Research
2004
Thermal spin transition (spin crossover), one of the most fascinating dynamic electronic structure phenomena occurring in coordination compounds of third row transition metal ions, mostly of iron(II), iron(III) and cobalt(II) with critical ligand field strengths competing with the spin pairing energy, has attracted increasing attention by many research groups. One of the reasons is the promising potential for practical applications. In this chapter we intend to cover essential recent work, primarily accomplished within the European research network on "Thermal and Optical Switching of Molecular Spin States (TOSS)". New spin crossover compounds and their thermal spin transition behaviour, al…
Quadrupole splitting of Fe(II) spin crossover compounds study of temperature and pressure dependence and the implication for the interaction mechanism
1989
The temperature and pressure dependence of the quadrupole splitting ΔE Q of the 3/2→1/2 nuclear Mossbauer transition of57Fe in the spin crossover compounds [Fe x Zn1−x (2-pic)3]Cl2⋆EtOH and the deuterated analog [Fe x Zn1−x (2-pic-ND2)3] Cl2⋆EtOD (2-pic=2-picolylamine) have been studied. The change of ΔE Q can be linearly related to the defomation of the lattice as observed by X-ray measurements. The dependence of ΔE Q on temperatureT, pressurep, and the fraction γ of molecules in the electronic high spin state in the pure iron (x=1) compounds is therefore interpreted as a result of the change of the lattice contribution to the electric field gradient (EFG) at the nucleus only. The intrinsi…
57Co emission studies of cupric oxide
1990
Results on the incorporation, valence and spin states of Fe(Co) in CuO (with reference to similar studies on high temperature superconductors) and coupling of the Fe(Co) moment to the Cu magnetism in CuO are presented. Freshly prepared57Co: CuO shows two quadrupole doublets D1 and D2 withQ.S. of 2.49 and 1.52,I.S. of 0.35 and 0.70 mm/s and relative abundance of 74% and 26%, respectively at room temperature, the abundance being dependent on time in a sample exposed to ambient conditions and reaching 38 to 62% fifteen months after preparation. Below,TN=2251K, a typical combined magnetic-quadrupole interaction pattern is observed with a single saturation magnetic hfs of 25.6 T, central shift o…
Magnetic resonance imaging of (1)H long lived states derived from parahydrogen induced polarization in a clinical system.
2015
Hyperpolarization is a powerful tool to overcome the low sensitivity of nuclear magnetic resonance (NMR). However, applications are limited due to the short lifetime of this non equilibrium spin state caused by relaxation processes. This issue can be addressed by storing hyperpolarization in slowly decaying singlet spin states which was so far mostly demonstrated for non-proton spin pairs, e.g. 13C-13C. Protons hyperpolarized by parahydrogen induced polarization (PHIP) in symmetrical molecules, are very well suited for this strategy because they naturally exhibit a long-lived singlet state. The conversion of the NMR silent singlet spin state to observable magnetization can be achieved by ma…
Raman spectra of vacancy-containing LiF: Predictions from first principles
2020
Abstract The electronic structure and Raman scattering from face-centered cubic LiF with three types of vacancies — an F-center, an F ′ -center and a vacancy without electrons ( v F ) — has been calculated by means of hybrid exchange–correlation functional within density functional theory. Our modeling predicts the effective charge of 0.87 e , 1.50 e and 0.10 e on the defect, respectively. The F-center induces two in-gap energy levels for two spin states split by 3.4 eV, while the F ′ -center and the v F induce a single in-gap level 3.8 eV and 2.9 eV below the bottom of conduction band, respectively. The calculated Raman spectra are thoroughly discussed and are found to match well the earli…
The debye-waller factor in spincrossover molecular crystals: a mössbauer study on [FexZn1−x(ptz)6](BF4)2
1995
In a first approximation the Debye-Waller factor (DWF) of molecular crystals is factorized into a molecular and a lattice part:f=f m f l. In the case of spincrossover compounds there is the unique possibility to measure differences of both parts in the two spin states by switching the spin states with the LIESST effect. Measurements of the DWF depending on temperature, γ-ray direction and spin state were performed with57Fe-Mossbauer spectroscopy on three single crystals (R¯3) of the spincrossover system [FexZn1−x(ptz)6](BF4)2 (ptz=1-propyltetrazole), a concentrated sample withx=1 and diluted ones withx=0.30 andx=0.005. The DWF decreases from 10 to 300 K by a factor of ∼ 100 and its anisotro…