scholarly journals Vibronic Effects in Mossbauer Spectra: The 57Fe Quadrupole Splitting in FeCO3

1978 ◽  
Vol 31 (5) ◽  
pp. 397 ◽  
Author(s):  
DC Price
Keyword(s):  
Quadrupole Splitting ◽  
Lattice Relaxation ◽  
Vibronic Coupling ◽  
Spin Lattice Relaxation ◽  
Relaxation Rates ◽  
Temperature Dependent ◽  
Spin Lattice ◽  
Symmetry Properties ◽  
Coupling Parameters ◽  
Magnetic Ions

The methods developed by Orbach and coworkers for calculating spin-lattice relaxation rates have been generalized to enable calculation of the effects of vibronic admixture between low-lying electronic states on observables, such as the Mossbauer quadrupole splitting, associated with magnetic ions in crystals. Emphasis is placed on the need to take proper account of the symmetry properties of the phonons until a late stage in the calculation. Application is made to the temperature dependence of the 57Fe quadrupole splitting in FeC03 , and it is concluded that, in general, vibronic coupling effects must be considered before static splitting parameters are extracted from experimental data relating to the temperature-dependent populations of electronic levels. The superposition model of the crystal field is employed to estimate the vibronic coupling parameters.

Proton Relaxation in Various Copper (II) Complexes and Determination of the Singlet-Triplet Separation

1980 ◽  
Vol 35 (1) ◽  
pp. 92-97 ◽  
Author(s):  
H. D. Jannek ◽  
W. Midler-Warmuth
Keyword(s):  
Copper Complexes ◽  
Lattice Relaxation ◽  
Magnetic Behaviour ◽  
Proton Spin ◽  
Spin Lattice Relaxation ◽  
Proton Relaxation ◽  
Relaxation Rates ◽  
Temperature Dependent ◽  
Spin Lattice

Abstract Proton spin-lattice relaxation rates have been measured at 30 MHz as a function of temperature for a large number of dimeric copper complexes with the ligands 8-hydroxyquinoline, pyridine-N-oxide, methyl and dimethyl pyridine-N-oxide, and quinoline-N-oxide. Two carboxylates and adducts of several complexes with various solvents have also been studied. In contrast to some compounds with a normal magnetic behaviour, for most complexes a temperature dependent relaxation has been observed which agrees well with the concept of a weak antiferromagnetic interaction between the two Cu2+ ions. The singlet-triplet separations or exchange integrals have been determined.

scholarly journals Universality of NMR Results in LISICON Systems and Other Solid Lithium Conductors

1998 ◽  
Vol 53 (10-11) ◽  
pp. 863-873 ◽  
Author(s):  
R. Bertermann ◽  
W. Müller-Warmuth
Keyword(s):  
Constant Width ◽  
Lattice Relaxation ◽  
Central Line ◽  
Spin Lattice Relaxation ◽  
Main Process ◽  
Relaxation Rates ◽  
Spin Lattice ◽  
Coupling Parameters ◽  
Increasing Temperature ◽  
Cation Sites

Abstract The temperature evolution of the 7Li NMR spectra and relaxation rates in many investigated solid lithium conductors shows more or less the same behavior. These compounds are characterized by a disordered lithium sublattice with a surplus of cation sites in cavities and channels of the anionic network. At low temperature, the spectra consist of a central line and a distributed satellite base structure. Upon increasing temperature, both components narrow until a reduced constant width with a well resolved quadrupole structure is reached. The mean nuclear quadrupole coupling parameters reduce by either about 5 or by a factor of 15 in all the compounds. The spin-lattice relaxation rates 1/T1 are asymmetric as a function of reciprocal temperature and of quadrupolar origin. The activation energy of the main process of ionic motion may best be obtained from the temperature dependence of the dipolar spin-spin-relaxation rate 1/T2 . The spectral densities of the relaxation dependences correspond to those for inhomogeneous motions; they may be described by modification of the BPP equation, a Cole-Davidson distribution or a Kohlrausch-Williams-Watts function. Within this study three LISICON systems, Li4-3x Gax GeO4 , and two phosphates Li3M2 (PO4)3 (M = Sc, In) were investigated or re-investigated which fit well into this scheme. Activation energies of 39-43 kJ/mol (Li4-3x Gax GeO4 with x = 0.06,0.14, 0.24), 53 kJ/mol (Li 3 Sc 2 (PO4)3) and 75 kJ/mol (Li3 In2 (PO4)3) were obtained.

Analysis of Spin Polarisation Transients in Periodically Photo-excited Triplet States

1975 ◽  
Vol 30 (5) ◽  
pp. 571-582 ◽  
Author(s):  
C. J. Winscom
Keyword(s):  
Lattice Relaxation ◽  
Rectangular Pulse ◽  
Decay Rates ◽  
Spin Lattice Relaxation ◽  
Pulse Excitation ◽  
Triplet States ◽  
Relaxation Rates ◽  
Spin Sublevel ◽  
Spin Lattice ◽  
The Individual

Abstract The behaviour of spin sublevel populations with time following periodic photo-excitation is ex-amined. The treatment is limited to conditions of magnetic field strength and temperature for which the spin lattice relaxation rates dominate the individual spin sublevel decay rates. The response of the system to three modes of excitation is considered: (i) continuous excitation using a time-independent intensity (ii) periodic rectangular pulse excitation and (iii) periodic waveform excitation. A convenient correspondence between the various forms of solutions is pointed out. The requirements of an experiment to determine spin-lattice relaxation rates in organic triplets at 77 K are discussed.

Anion reorientations and cation diffusion in a carbon-substituted sodium nido-borate Na-7,9-C2B9H12: 1H and 23Na NMR studies

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Alexander V. Skripov ◽  
Olga A. Babanova ◽  
Roman V. Skoryunov ◽  
Alexei V. Soloninin ◽  
Terrence J. Udovic
Keyword(s):  
Lattice Relaxation ◽  
Activation Energies ◽  
Spin Lattice Relaxation ◽  
Relaxation Rates ◽  
Cation Diffusion ◽  
Relaxation Data ◽  
Nmr Studies ◽  
Spin Lattice ◽  
Jump Rate ◽  
Disordered Phase

Abstract Polyhydroborate-based salts of lithium and sodium have attracted much recent interest as promising solid-state electrolytes for energy-related applications. A member of this family, sodium dicarba-nido-undecahydroborate Na-7,9-C2B9H12 exhibits superionic conductivity above its order-disorder phase transition temperature, ∼360 K. To investigate the dynamics of the anions and cations in this compound at the microscopic level, we have measured the 1H and 23Na nuclear magnetic resonance (NMR) spectra and spin-lattice relaxation rates over the temperature range of 148–384 K. It has been found that the transition from the low-T ordered to the high-T disordered phase is accompanied by an abrupt, several-orders-of-magnitude acceleration of both the reorientational jump rate of the complex anions and the diffusive jump rate of Na+ cations. These results support the idea that reorientations of large [C2B9H12]− anions can facilitate cation diffusion and, thus, the ionic conductivity. The apparent activation energies for anion reorientations obtained from the 1H spin-lattice relaxation data are 314 meV for the ordered phase and 272 meV for the disordered phase. The activation energies for Na+ diffusive jumps derived from the 23Na spin-lattice relaxation data are 350 and 268 meV for the ordered and disordered phases, respectively.

An experimental evaluation of simplified procedures for determining the proton spin–lattice relaxation rates of natural products

1980 ◽  
Vol 58 (19) ◽  
pp. 2016-2023 ◽  
Author(s):  
Lawrence D. Colebrook ◽  
Laurance D. Hall
Keyword(s):  
Natural Products ◽  
Lattice Relaxation ◽  
Null Point ◽  
Proton Spin ◽  
Computational Method ◽  
Spin Lattice Relaxation ◽  
Relaxation Rates ◽  
Spin Lattice ◽  
Simplified Procedures

A general discussion is given of the determination of the proton spin–lattice relaxation rates of natural products, with particular emphasis on use of the null-point method which, for the systems studied here, gives identical results with those obtained via the conventional (and relatively time consuming) computational method.

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