<Superscript>27</Superscript>Al NMR Study of the Structure and Dynamics of Natrolite

The temperature dependences of nuclear magnetic resonance and magic angle spinning nuclear magnetic resonance spectra of ²⁷Al nuclei in natrolite (Na₂Al₂Si₃O₁₀· 2H₂O) have been studied. The influence of water molecules and sodium ions mobility on the shape of the ²⁷Al NMR spectrum and framework dynamics have been discussed The temperature dependences of the spin–lattice relaxation times T₁ of ²⁷Al nuclei in natrolite have also been studied. It has been shown that the spin–lattice relaxation of the ²⁷Al is governed by the electric quadrupole interaction with the crystal electric field gradients modulated by translational motion of H₂O molecules in the natrolite pores. The dipolar interactions with paramagnetic impurities become significant as a relaxation mechanism of the ²⁷Al nuclei only at low temperatures (<270 K).     

<Superscript>29</Superscript>Si, <Superscript>27</Superscript>Al, <Superscript>1</Superscript>H and <Superscript>23</Superscript>Na MAS NMR Study of the Bonding Character in Aluminosilicate Inorganic Polymers

²⁹Si, ²⁷Al, ¹H and ²³Na solid-state magic-angle spinning (MAS) nuclear magnetic resonance (NMR) has been used to relate nominal composition, bonding character and compressive strength properties in aluminosilicate inorganic polymers (AIPs). The ²⁹Si chemical shift varies systematically with Si-to-Al ratio, indicating that the immediate structural environment of Si is altering with nominal composition. Fast ¹H MAS and ²⁹Si T _SiH/T _1ρ relaxation measurements demonstrated that occluded pore H₂O mobility within the disordered cavities is slow in comparison with H₂O mobility characteristics observed within the ordered channel structures of zeolites. The ²⁷Al MAS NMR data show that the Al coordination remains predominantly 4-coordinate. In comparison with the ²⁹Si MAS data, the corresponding ²⁷Al MAS line shapes are relatively narrow, suggesting that the AlO₄ tetrahedral geometry is largely unperturbed and the dominant source of structural disorder is propagated by large distributions of Si–O bond angles and bond lengths. Corresponding ²³Na MAS and multiple-quantum MAS NMR data indicate that Na speciation is dominated by distributions of hydration states; however, more highly resolved ²³Na resonances observed in some preparations supported the existence of short-range order. New structural elements are proposed to account for the existence of these Na resonances and an improved model for the structure of AIPs has also been proposed. Authors' address: John V. Hanna, NMR Facility, Institute of Materials and Engineering Science, Lucas Heights Research Laboratories, Australian Nuclear Science and Technology Organisation, Private Mail Bag 1, Menai, NSW 2234, Australia     

<Superscript>53</Superscript>Cr NMR study of CuCrO<Subscript>2</Subscript> multiferroic

The magnetically ordered phase of the CuCrO₂ single crystal has been studied by the nuclear magnetic resonance (NMR) method on ⁵³Cr nuclei in the absence of an external magnetic field. The ⁵³Cr NMR spectrum is observed in the frequency range ν_res = 61–66 MHz. The shape of the spectrum depends on the delay tdel between pulses in the pulse sequence τ_π/2–t _del–τ_π–t _del–echo. The spin–spin and spin–lattice relaxation times have been measured. Components of the electric field gradient, hyperfine fields, and the magnetic moment on chromium atoms have been estimated.     

Charged particle spectra upon interaction between 50.5 MeV <Superscript>3</Superscript>He ions and <Superscript>27</Superscript>Al nuclei

The inclusive spectra of light charged particles formed upon interaction between 50.5 MeV ³Не ions and ²⁷Al nuclei are studied. The experimental results are analyzed using the exciton model of nucleus decay, with the PRECO-2006 code describing the transition of an excited system to equilibrium state. The contributions from composite, pre-equilibrium, and direct processes of integral cross section formation are calculated. Determination of these mechanisms is of interest to both fundamental nuclear physics and different areas of application, particularly the nuclear transmutation of long-lived radioactive contamination.     

Control of the nuclear spin of the <Superscript>129</Superscript>Xe and <Superscript>131</Superscript>Xe isotopes in the spin-exchange interaction with <Superscript>87</Superscript>Rb atoms

Nuclear spin dynamics of the ¹²⁹Xe and ¹³¹Xe isotopes in an external magnetic field B ₀ is considered. Nuclear spin is pumped by the laser through ⁸⁷Rb, which transfers the electron spin to the ¹²⁹Xe and ¹³¹Xe nuclei in the spin-exchange interaction. The nuclear spin dynamics is controlled with a transverse magnetic field that causes nuclear magnetic resonance in both ¹²⁹Xe and ¹³¹Xe isotopes. Numerical calculations are performed to find conditions at which the transverse component of the nuclear spin in the established motion is of maximum and the slope angle relative to the vector of the constant magnetic field B ₀ is 45°. This regime is taken to be optimal for simulation of practical applications. It is also found that the pump of the nuclear spin of xenon is strongly attenuated when the rubidium polarization vector is turned to the plane perpendicular to the external magnetic field vector B ₀.     

EPR Study of Sc<Subscript>2</Subscript>SiO<Subscript>5</Subscript>:Nd<Superscript>143</Superscript> Isotopically Pure Impurity Crystals

The Sc₂SiO₅ single crystals doped with 0.001 at.% of the ¹⁴³Nd³⁺ ion were studied by continuous-wave and pulse electron paramagnetic resonance methods. The g-tensors and hyperfine structure tensors for two magnetically non-equivalent Nd ions were obtained. The spin–spin and spin–lattice relaxation times were measured at 9.82 GHz in the temperature range from 4 to 10 K. It was established that three relaxation processes contribute to the spin–lattice relaxation processes. There are one-phonon spin–phonon interaction, two-phonon Raman interaction and two-phonon Orbach–Aminov relaxation processes. It was established that spin–spin relaxation time is of the same magnitude for neodymium ion doped in Sc₂SiO₅ and in Y₂SiO₅.     

Resonance Frequency and NMR Relaxation Times in Two Inequivalent <Superscript>133</Superscript>Cs in Cs<Subscript>2</Subscript>CuBr<Subscript>4</Subscript> and Cs<Subscript>2</Subscript>ZnBr<Subscript>4</Subscript> Single Crystals

The resonance frequencies and relaxation mechanisms of Cs₂CuBr₄ and Cs₂ZnBr₄ were examined by static nuclear magnetic resonance (NMR) method. Here, the two inequivalent Cs(1) and Cs(2) sites surrounded by Br ions were distinguished. The saturation recovery traces for ¹³³Cs nuclei in Cs₂CuBr₄ with the paramagnetic ions, and those in Cs₂ZnBr₄ without the paramagnetic ions were each fitted by four exponential functions. From these results, the spin–lattice relaxation times T₁ in the laboratory frame of ¹³³Cs nuclei in the two crystals were obtained, and Cs(1) surrounded by 11 bromide ions has a longer relaxation time than Cs(2) surrounded by 9 bromide ions.     

Spin Kinetics of Liquid <Superscript>3</Superscript>He in Contact with a DyF<Subscript>3</Subscript> Micropowder at Ferromagnetic Ordering of Dy<Superscript>3+</Superscript> Ions

The spin kinetics of liquid ³He in contact with a mixture of LaF₃ (99.67%) and DyF₃ (0.33%) micropowders at temperatures of 1.5–3 K has been studied by pulsed nuclear magnetic resonance (NMR). The DyF3 is a dipolar dielectric ferromagnet with the phase transition temperature T_c= 2.55 K, whereas the diamagnetic fluoride LaF₃ is a diluting substance for the optimal observation conditions of ³Не NMR in powder pores. The magnetic phase transition in DyF₃ is accompanied by a considerable change in the character of fluctuations of the magnetic moments of dysprosium ions, which affect the spin kinetics of ³Не in contact with the substrate. Significant changes in the relaxations rates of the longitudinal and transverse magnetizations of 3Не have been discovered in the region of magnetic ordering of the solid matrix. The technique of studying the static and fluctuating magnetic fields of a solid matrix at low temperatures using liquid ³He as a probe has been proposed.     

<Superscript>29</Superscript>Si nuclear spin relaxation in microcrystals of plastically deformed Si: B samples

Single crystals and microcrystals Si: B enriched with ²⁹Si isotopes have been studied using nuclear magnetic resonance and electron paramagnetic resonance (EPR) in the temperature range from 300 to 800 K. It has been found that an increase in the temperature from 300 to 500 K leads to a change in the kinetics of the relaxation of the saturated nuclear spin system. At 300 K, the relaxation kinetics corresponds to direct electron–nuclear interaction with inhomogeneously distributed paramagnetic centers introduced by the plastic deformation of the crystals. At 500 K, the spin relaxation occurs through the nuclear spin diffusion and electron–nuclear interaction with an acceptor impurity. It has been revealed that the plastic deformation affects the EPR spectra at 9 K.     

<Superscript>17</Superscript>O and<Superscript>23</Superscript>Na nuclear quadrupole double resonance of sodium formate and sodium acetate

The¹⁷O and²³Na nuclear quadrupole resonance spectra of powdered sodium formate and sodium acetate have been determined at room temperature by proton-¹⁷O and proton-²³Na double resonance. All¹⁷O sites have been found to be chemically equivalent. The nonzero value of the asymmetry parameter of the electric field gradient tensor at the¹⁷O site shows that the electron density distribution is not cylindrically symmetric around the C−O bond axis.     

<Superscript>23</Superscript>Na NMR in binary lithium-sodium cobaltite

Li_0.48Na_0.35CoO₂ lithium-sodium cobaltite was studied by means of wide-line ²³Na and ⁷Li NMR. A series of quantum-chemical calculations allowed to us determine the optimum positions of Li and Na atoms, to construct a map of the densities of electronic states near the Fermi level, and to estimate the electric field gradient on the Na nuclei. The results from these calculations are compared with experimental data from NMR and X-ray photoelectron spectroscopy     

Crystalline Aluminium Borates with the Mullite Structure: A <Superscript>11</Superscript>B and <Superscript>27</Superscript>Al Solid-State NMR Study

²⁷Al magic-angle spinning (MAS) nuclear magnetic resonance (NMR) spectra were acquired at 8.45, 14.1 and 16.45 T for a series of aluminium borates with the mullite structure (Al_6−x B _x O₉, where x has nominal values of 1 to 4) augmented with ²⁷Al multiple-quantum MAS NMR spectra at 8.45 T. Even though the ²⁷Al NMR spectra are complex, simulation of the combined set of data produced a relatively well-defined set of parameters (e.g., quadrupolar interaction, isotropic chemical shift, etc.) for each site. The ¹¹B MAS NMR spectra of the same compounds were also acquired at 14.1 T. Linear changes in the X-ray a-, b- and c-cell parameters with composition suggest that these compounds constitute a continuous series. Based on a Rietveld structural refinement of the compound synthesized as Al₄B₂O₉, the resulting site occupancies and relative site distortions allow the identification of particular sites with specific NM resonances. Changes in the ²⁷Al and ¹¹B MAS NMR spectra of the related compounds with x = 1–4 show at the lowest Al contents a greater degree of asymmetry in the Al sites of the octahedral chains. A fairly distorted cross-linking tetrahedral site, which persists throughout the composition range, is accompanied in the lower Al compositions by two 5-fold coordinated Al–O units which are replaced by two more-regular tetrahedral Al–O sites as the Al content increases. In the compounds of lowest Al composition (i.e., highest B content) both the tetrahedral and trigonal cross-linking sites are distinguishable, but as the Al content increases, the BO₄ units progressively disappear. Authors' address: Kenneth J. D. MacKenzie, School of Chemical and Physical Sciences, Victoria University of Wellington, P.O. Box 600, Wellington, New Zealand     

Diffractive scattering of <Superscript>7</Superscript>Be and <Superscript>8</Superscript>B nuclei by <Superscript>12</Superscript>C nuclei

A theory of the diffractive scattering of loosely bound three-cluster nuclei by nuclei was developed with allowance for Coulomb interaction. The differential cross sections for the scattering of projectile exotic nuclei ⁷Be and ⁸B by ¹²C nuclei at an energy of 40 MeV per nucleon were calculated within the proposed formalism. The results describe satisfactorily relevant experimental data.     

Band termination in the Z = N odd-odd nuclei <Superscript>46</Superscript>V and <Superscript>50</Superscript>Mn

The configuration-dependent cranked Nilsson-Strutinsky approach has been employed to study the properties and band structures at high spin in the Z = N odd-odd nuclei ⁴⁶V and ⁵⁰Mn. The observed bands are explained and terminating states are confirmed by the calculations. The calculated and observed bands are in good agreement without normalization, especially for terminating states. Possible bands with rotation around the intermediate axis and the effect of γ-deformation on the total energy of several interesting configurations are discussed. Received: 2 April 2002 / Accepted: 27 January 2003 / Published online: 15 April 2003     

Spin dynamics in LiCu<Subscript>2</Subscript>O<Subscript>2</Subscript> and NaCu<Subscript>2</Subscript>O<Subscript>2</Subscript> low-dimensional helical magnets

Comprehensive NMR investigation of low-frequency spin dynamics of LiCu₂O₂ (LCO) and NaCu₂O₂ (NCO) low-dimensional helical magnets in the paramagnetic state has been carried out for the first time. Temperature dependences of the spin–lattice relaxation rate and anisotropy on various LCO/NCO nuclei have been determined at various orientations of single crystals in an external magnetic field. The spatial asymmetry of spin fluctuations in LCO multiferroic has been discovered. The quantitative analysis of the anisotropy of spin–lattice relaxation in LCO/NCO has allowed estimating the contributions of individual neighboring Cu²⁺ ions to the transferred hyperfine field on Li⁺(Na⁺) ions.     

Study of the Involvement of <Superscript>8</Superscript>Be and <Superscript>9</Superscript>B Nuclei in the Dissociation of Relativistic <Superscript>10</Superscript>C, <Superscript>10</Superscript>B,and <Superscript>12</Superscript>C Nuclei

The results obtained by estimating the contribution of 8Be and 9B nuclei to the coherent dissociation of ¹⁰C, ¹⁰B, and ¹²C relativistic nuclei in nuclear track emulsions (“white” stars) are presented. The selection of white stars accompanied by 9B leads to a distinct peak appearing in the distribution of the excitation energy of 2α2p ensembles and having a maximum at 4.1 ± 0.3 MeV. A 8Be nucleus manifests itself in the coherent-dissociation reaction ¹⁰B → ²He + H with a probability of (25 ± 5)%, (14 ± 3)% of it being due to 9B decays. The ratio of the branching fractions of the ⁹B + n and ⁹Be + p mirror channels is estimated at 6 ± 1. An analysis of the relativistic dissociation of ¹²C nuclei in a nuclear track emulsion revealed nine 3α events corresponding to the Hoyle state.     

Diffractive dissociation of deuterons and exotic nuclei <Superscript>6</Superscript>He and <Superscript>19</Superscript>C

A theory is developed for describing the diffractive dissociation of loosely bound two-cluster nuclei in the nuclear and Coulomb fields of nuclei having a diffuse boundary. The energy spectra of charged products of the breakup of ²H, ⁶He, and ¹⁹C nuclei are calculated on the basis of the proposed approach, and the results are found to be rather sensitive to nuclear structure. For some angles of neutron and proton emission from the reaction ¹²C(d, np)¹²C, the calculated cross sections are in satisfactory agreement with the results of kinematically complete experiments performed recently to study the breakup of intermediate-energy deuterons.     

A study of semi-classical processes in the elastic scattering of <Superscript>32</Superscript>S by <Superscript>64</Superscript>Ni and <Superscript>58</Superscript>Ni by <Superscript>27</Superscript>Al

In order to determine the extent of the presence of semi-classical phenomena such as Fresnel and Fraunhofer patterns etc., we have analyzed the elastic scattering of ³²S by ⁶⁴Ni and ⁵⁸Ni by ²⁷Al using the McIntyre parametrization at several energies. The theoretical approach can reasonably account for the general pattern of the data, thus allowing us to extract the parameters pertinent to these semi-classical processes. The scattering of ⁵⁸Ni by ²⁷Al at 220, 185, 170, 160 and 155 MeV laboratory energies, exhibits features expected from the strong absorption model (SAM). However, the features of the scattering of ³²S by ⁶⁴Ni at 150, 108, 98, 93, 91, 88 and 82 MeV laboratory energies have significant deviation from the expected pattern of SAM.