Search results for "Quadrupole"
showing 10 items of 460 documents
57Fe Mössbauer spectroscopy predicts superstructure for K0.08[Cu(II)(N,N'app)Cl]2[Fe(III)(CN)6].0.92H3O.3H2O.
2007
The compound [Cu(N,N'app)Cl](2)[Fe(CN)(6)].xH(2)O, with N,N'app being bis(N,N'-3-aminopropylpiperazine), was prepared and its structure determined by single crystal X-ray analysis, confirming a ratio of two copper complexes to one iron complex; (57)Fe Mössbauer spectra showed three quadrupole doublets typical of iron(iii) low spin species which call for the presence of a superstructure.
Size- and Structure-Selective Noncovalent Recognition of Saccharides by Tetraethyl and Tetraphenyl Resorcinarenes in the Gas Phase
2008
The noncovalent complexation of tetraethyl and tetraphenyl resorcinarenes with mono-, di-, and oligosaccharides was studied with negative-polarization electrospray ionization quadrupole ion trap and electrospray ionization Fourier-transform ion cyclotron resonance mass-spectrometric analysis. The saccharides formed 1:1 complexes with deprotonated resorcinarenes, which exhibited clear size and structure selectivity in their complexation. In the case of the monosaccharides, hexoses formed much more abundant and kinetically stable complexes than pentoses or deoxyhexoses. A comparison of the mono-, di-, and oligosaccharides revealed that both the relative abundance and stability of the complexe…
The dynamics of (57)Fe nuclei in Fe(III)-DNA condensates.
2001
Abstract The dynamics of iron nuclei in the condensates obtained by interaction of Fe III with DNA, Fe III (DNA monomer) 2 , have been investigated by variable temperature 57 Fe Mossbauer spectroscopy. Studies were effected on gel and freeze-dried samples, obtaining nearly coincident values of the parameters isomer shift and nuclear quadrupole splitting in T ranges 20–260 K. Functions ln( A T / A 77.3 ) vs. T , here employed to investigate the dynamics of Fe nuclei, showed linear trends in the T ranges 20–150 and 150–260 K, respectively, the latter with larger slopes. Data coincided for gelled and freeze-dried specimens. No variation of δ or Δ E parameters occurred at the two T intervals, w…
NQR/NMR and Mössbauer spectroscopy of sulfides: potential and versatility
2013
Nuclear quadrupole resonance (NQR), nuclear magnetic resonance (NMR) and nuclear gamma-resonance (NGR or Mossbauer Effect) methods are generally described as highly sensitive tools in studies of local electronic structure and symmetry in solid-state materials. This is due to high informativity in electronic structure investigations, high resolution in phase-structural diagnostics (down to nano-scale), possibility to study polycrystalline and complex compounds, and to the non-destructive character of these methods. As applied to Earth sciences, both NQR/NMR and Mossbauer spectroscopy methods contribute to mineralogical material science and mineral physics. Another important aspect is the fac…
Investigation of ultrathin iron and iron/nickel layers prepared from Langmuir-Blodgett films
1996
Oxidic and metallic iron and iron/nickel multilayers, formed after thermal and chemical treatment of Langmuir-Blodgett films, were investigated. Reduced iron-stearate multilayers were compared with evaporated films concerning their phase composition and their lateral homogeneity. The sequence of metallic and oxidic iron in the films after reduction was determined. Oxidic iron/nickel mixed layers can be prepared from Langmuir-Blodgett films, in which a magnetically non-ordered Fe3+ phase exhibiting a distribution of the quadrupole splitting is observed. After reduction of such layers, two metallic iron phases appear dependent on the nickel concentration. The hyperfine field distribution of t…
Mössbauer effect study of the electronic ground state of iron(II)in tris(2-chlorophenanthroline)iron(II) perchlorate
1976
Abstract Mossbauer spectra of [Fe(2-Cl-phen) 3 ](ClO 4 ) 2 ·H 2 O have been measured in the temperature range 293 − 5 K. The spectra indicate that the iron atom in this compound possesses a spin quintet ground state throughout the temperature range under study, in contradiction to the suggested high spin-low spin transition, which has been concluded from a magnetic susceptibility study by other authors. From a theoretical analysis of the temperature dependence of the quadrupole splitting, with trigonal distortion, spin-orbit coupling, and effects of covalency taken into account, the ground term of iron(II) in this compound has been elucidated as being 5 A 1 ( 5 T 2g ), separated from the 5 …
Nuclear Quadrupole Moment of 119Sn
2008
Second-order scalar-relativistic Douglas-Kroll-Hess density functional calculations of the electric field gradient, including an analytic correction of the picture change error, were performed for 34 tin compounds of which molecular structures and Sn-119 Mossbauer spectroscopy parameters are experimentally known. The components of the diagonalized electric field gradient tensor, V-xx,V-yy, V-zz, were used to determine the quantity V, which is proportional to the nuclear quadrupole splitting parameter Delta E. The slope of the linear correlation plot of the experimentally determined Delta E parameter versus the corresponding calculated V data allowed us to obtain an absolute value of the nuc…
87RbNMR spectra of hydrogen-bondedRb3D(SO4)2andRb3H(SO4)2crystals
1999
The paraelectric and antiferroelectric phases of ${\mathrm{Rb}}_{3}{\mathrm{D}(\mathrm{S}\mathrm{O}}_{4}{)}_{2}$ and ${\mathrm{Rb}}_{3}{\mathrm{H}(\mathrm{S}\mathrm{O}}_{4}{)}_{2}$ were investigated using rubidium NMR. The angle dependence of the second order quadrupole shifted central ${}^{87}\mathrm{Rb}$ transitions was recorded at 300 K. It was found to be in full agreement with the symmetry elements of a monoclinic $A2/a$ structure. The temperature dependence of the magnitude and asymmetry of the electrical field gradient (EFG) tensors at the Rb sites was determined using powder samples and revealed no differences between protonated and deuterated specimens. The antiferroelectric transi…
Molecular polarizability of Si/Ge/GaAs semiconductors clusters
2004
The interacting induced dipole polarization model implemented in our program for the calculation of molecular polarizabilities (POLAR) is used for the calculation of the molecular dipole-dipole polarizability ${\overline{\overline{α}}}$. POLAR is tested with Si$_{n}$, Ge$_{n}$ and Ga$_{n}$As$_{m}$ small clusters. The polarizability is an important quantity for the identification of clusters with different numbers of atoms and even for the separation of isomers. The results for the polarizability are in agreement with reference calculations performed with our version of the program PAPID (polarisabilites atomiques par interactions dipolaires) and with reference computations from Dr. J.R. Che…
Noise identification and sampling frequency determination for precise Pb isotopic measurements by quadrupole-based Inductively Coupled Plasma Mass Sp…
2000
Analytical precision of the isotope ratios measured by quadrupole-based ICP-MS is drastically controlled by the low- frequency noises which originate from nebulisation and vaporisation processes, and from sample introduction systems. The unde- sirable influence of these latter can be however reduced by choosing efficiently the operating parameters. In the present study , the choice of the stabilisation time necessary in peak jump mode, and the one of the number of sweeps are discussed in the light of noise power spectra obtained with various speeds of the peristaltic pump used as sample introduction system. Obviously, the settings proposed are probably efficient only on our own ICP-MS, but …