scholarly journals NMR Detection of Oxygen Isotopes in TiO2 Single Crystal

1998 ◽  
Vol 53 (6-7) ◽  
pp. 305-308
Author(s):  
M. Tanigaki ◽  
S. Takeda ◽  
K. Matsuta ◽  
Y. Matsumoto ◽  
T. Minamisono ◽  
...  
Keyword(s):  
Single Crystal ◽  
Quadrupole Moment ◽  
Oxygen Isotopes ◽  
Electric Quadrupole ◽  
Coupling Constants ◽  
Quadrupole Moments ◽  
Quadrupole Interactions ◽  
Quadrupole Coupling ◽  
Nmr Signals

Abstract We studied the electric quadrupole interactions of Oxygen isotopes in a TiO2 single crystal. For 13O and 19O nuclei, quadrupole coupling constants were measured by the β-NMR technique, and for the 17O nucleus the FT-NMR technique was utilized. We synthesized a TiO2 single crystal which was enriched in 17O up to 5 atom % to observe NMR signals without any perturbations from impurities. Using the known quadrupole moment of 17O, EFGs at an O site in TiO2 and the quadrupole moments of 13O and 19O were determined.

The 14N Nuclear Quadrupole Coupling Tensors, the Tensors of the Molecular Magnetic Susceptibility and the Molecular Electric Quadrupole Moment in Pyrazole: A High Resolution Rotational Zeeman Effect Study

1990 ◽  
Vol 45 (11-12) ◽  
pp. 1248-1258 ◽  
Author(s):  
O. Böttcher ◽  
D. H. Sutter
Keyword(s):  
Magnetic Susceptibility ◽  
High Resolution ◽  
Quadrupole Moment ◽  
Moment Tensor ◽  
Electric Quadrupole ◽  
Coupling Constants ◽  
Zero Field ◽  
Electric Quadrupole Moment ◽  
Magnetic Susceptibility Anisotropy ◽  
Quadrupole Coupling

AbstractHigh resolution zero field and Zeeman rotational spectra of 1 D-pyrazole have been studied by microwave Fourier-transform spectroscopy. The zero field hfs patterns allowed to improve the quadrupole coupling constants for both 14N nuclei. From the high field Zeeman multiplets the diagonal elements of the g-tensor were obtained as gaa= -0.1178(2),.gbb=-0.0762(2) and gcc = 0.0608 (2). The two independent components of the molecular magnetic susceptibility anisotropy in units of 10-6 erg G-2 mole- 1 are 2 ξaa - ξbb - ξcc= 52.69(32) and 2 ξbb - ξcc - ξaa = 39.32(29) were, a, b, c denote the molecular principal inertia axes. From these values the components of the molecular electric quadrupole moment tensor in units of 10-26 esu cm2 follow as Qaa = 5.84(22), Qbb= -0.58 (21) and Qcc= -5.27(38). Comparison with corresponding values for the undeuterated species leads to the complete tensors including their orientation with respect to the nuclear frame.

Nuclear Quadrupole Perturbations in 51V NMR Spectra of Oxovanadium(+V) Complexes

1982 ◽  
Vol 37 (2) ◽  
pp. 139-149 ◽  
Author(s):  
Kurt Paulsen ◽  
Dieter Rehder
Keyword(s):  
Asymmetry Parameter ◽  
Nmr Spectra ◽  
Electric Quadrupole ◽  
Coupling Constants ◽  
Concentration Effects ◽  
Quadrupole Coupling ◽  
Line Widths ◽  
Nuclear Quadrupole ◽  
Nmr Signals ◽  
Temperature And Concentration Effects

Abstract Nuclear electric quadrupole coupling constants e2qQ/h have been obtained by evaluation of quadrupole perturbations in 51V NMR spectra of various vanadyl esters and esterchlorides of the general formula VOCl3-n(OR)n (n=0-3; R = Me, Prn , Prn, Bun and Bui). e2qQ/h values have been calculated from (i) 2nd. order quadrupole splittings of the 51V NMR signals in pseudo-polycrastalline samples, (ii) 1st. order quadrupole splittings in nematic liquid crystals and (iii) line widths A ⊿ν1/2 of the 51V and 35Cl NMR signals in the liquid isotropic state and e2qQ/h(35Cl) obtained by pure NQR measurements. The influences of the asymmetry parameter η and the orientation of the crystallites in powder spectra are considered, and temperature and concentration effects upon ⊿ν1/2 and 51V shielding (isotropic phases) and the ordering factor Sa (meso-phases) are discussed.

FT-NMR Detection of 45Sc, 49Ti and 93Nb in TiO2 Single Crystal

1998 ◽  
Vol 53 (6-7) ◽  
pp. 549-551
Author(s):  
K. Sato ◽  
S. Takeda ◽  
S. Fukuda ◽  
T. Minamisono ◽  
M. Tanigaki ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Stable Isotope ◽  
Single Crystal ◽  
Field Gradient ◽  
Quadrupole Moment ◽  
Electric Quadrupole ◽  
Quadrupole Coupling Constant ◽  
Electric Quadrupole Moment ◽  
Coupling Constant ◽  
Quadrupole Coupling

Abstract In order to determine the electric quadrupole moment of the short-lived β-emitter 41Sc from the quadrupole coupling constant in TiO2 , we measured the field gradient by detecting the Fourier-Transformed-NMR of stable isotope 45Sc doped in TiO2. Also, in order to study the electronic structure of impurities systematically, EFGs were measured for 45Sc, 49Ti and 93Nb in a TiO2 ingle single crystal.

Measurement of Nuclear Quadrupole Interactions using Mössbauer Spectroscopy

1996 ◽  
Vol 51 (5-6) ◽  
pp. 368-372 ◽  
Author(s):  
Desmond C. Cook
Keyword(s):  
Mössbauer Spectroscopy ◽  
Mossbauer Spectroscopy ◽  
Electric Quadrupole ◽  
Quadrupole Coupling Constant ◽  
Quadrupole Moments ◽  
Quadrupole Interactions ◽  
Mößbauer Spectroscopy ◽  
Nuclear Quadrupole Interactions ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

Abstract Mössbauer spectroscopy is a useful probe for investigating nuclear quadrupole interactions. It enables the magnitude, sign and asymmetry of the electric quadrupole coupling constant to be determined. It is especially important for its ability to measure these parameters for excited nuclear states. The Mössbauer effect is used to measure excited state quadrupole moments in materials whose electric field gradient (EFG) is known. More commonly however, it is used to determine the EFG from which atomic bonding and electronic structure are determined. The technique also allows temperature dependent orientation of sublattice magnetization to be measured using the direction of the electric quadrupole coupling as a reference.

The Rotational Zeeman Effect of Imines II. Cis- and Trans-Ethanimine and Trans-Syn- and Trans-Anti-Propenimine, their g-Tensors, Magnetic Susceptibility Anisotropics, Molecular Electric Quadrupole Moments, 14N Nuclear Quadrupole Coupling Constants, and 14N Spin-Rotation Coupling Constants; a Microwave Spectroscopic Study Combined with Quantum Chemical Calculations

1991 ◽  
Vol 46 (9) ◽  
pp. 785-798 ◽  
Author(s):  
H. Krause ◽  
D. H. Sutter
Keyword(s):  
Magnetic Susceptibility ◽  
High Field ◽  
Moment Tensor ◽  
Electric Quadrupole ◽  
Spin Rotation ◽  
Coupling Constants ◽  
Zero Field ◽  
Quadrupole Moments ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

Abstract The zero field 14N-hfs-multiplets and the high-field Zeeman-hfs-multiplets of low-J rotational transitions of the title compounds were observed in a flash pyrolysis setup under high-resolution conditions. From the zero-field hfs patterns the 14N spin-rotation coupling constants and the 14N nuclear quadrupole coupling constants were obtained. From the high-field Zeeman-hfs-multiplets, the diagonal elements of the molecular g-tensor and the anisotropies in the diagonal elements of the molecular magnetic susceptibility tensor were determined and were used to derive the diagonal elements of the molecular electric quadrupole moment tensor. INDO calculations and restricted Hartree-Fock self consistent field calculations with a basis of TZVP quality were carried out at the experimental structures and critically compared to the experimental results

scholarly journals The Molecular Zeeman Effect of Imines. I. Methanimine, its Molecular g-Tensor, its Magnetic Susceptibility Anisotropies, its Molecular Electric Quadrupole Moment, its Electric Field Gradient at the Nitrogen Nucleus, and its Nitrogen Spin-Rotation Coupling

1989 ◽  
Vol 44 (11) ◽  
pp. 1063-1078 ◽  
Author(s):  
H. Krause ◽  
D. H. Sutter
Keyword(s):  
Magnetic Susceptibility ◽  
Zeeman Effect ◽  
Electric Quadrupole ◽  
Spin Rotation ◽  
Coupling Constants ◽  
Zero Field ◽  
Quadrupole Moments ◽  
Magnetic Susceptibility Tensor ◽  
State Expectation ◽  
The Individual

Abstract The rotational Zeeman effect has been observed in methanimine which was produced from ethylenediamine by flash pyrolysis. The observed vibronic ground state expectation values of the molecular g-values, the magnetic susceptibility anisotropies and the molecular electric quadrupole moments are: gaa = -1.27099(22), gbb= -0.18975(7), gcc= -0.03440(8), 2ξaa-ξbb-ξcc = 12.49(19) · 10-6 ergG-2mol-1, 2ξbb-ξcc-ξaa = 5.22(11) · 10-6 ergG-2 mol-1 Qaa = 0.43(17) · 10-26esu cm2, Qbb= 1.08(10) · 10-26 esu cm2, and Qcc= -1.51 (26) . 10-26 esu cm2. With the TZVP ab initio value for the out-off plane electronic second moment as additional input, reliable values can be given also for the individual components of the magnetic susceptibility tensor and for the bulk susceptibility:ξ = (ξaa + ξbb + ξcc)/3=-13.13(88) · 10-6 erg G -2 mol-1. From low-J a-and b-type zero field transitions the spin-rotation coupling constants and the 14N nuclear quadrupole coupling constants could be redetermined with improved accuracy. These data are compared with our new theoretical results.

scholarly journals The Rotational Zeeman Effect in Fluorobenzene and the Molecular Quadrupole Moment in Benzene

1982 ◽  
Vol 37 (10) ◽  
pp. 1165-1175 ◽  
Author(s):  
W. H. Stolze ◽  
M. Stolze ◽  
D. Hübner ◽  
D. H. Sutter
Keyword(s):  
Magnetic Susceptibility ◽  
Carbon Tetrachloride ◽  
Quadrupole Moment ◽  
Ring Current ◽  
Zeeman Effect ◽  
Electric Quadrupole ◽  
Quadrupole Moments ◽  
Electric Quadrupole Moment ◽  
Microwave Spectrometer ◽  
Out Of Plane

The rotational Zeeman effect in fluorobenzene is reinvestigated with a resolution improved by a factor of almost five to give more accurate g-tensor elements, magnetic susceptibility anisotropics and molecular electric quadrupole moments. The results fit into the pictures of a linear dependence of the out of plane molecular electric quadrupole moment, Qcc, on the number of fluorine substituents and of a linear correlation between the nonlocal (ring current) susceptibility, Χccnonlocal, and the CNDO/2-π-electron density alternation. They lead to a gasphase molecular electric quadrupole moment in benzene, Qcc,benzene = - (28.4 ± 4.7) · 10-40 Cm2 which is slightly less negative than the value deduced from electric field-gradient birefringence experiments on dilute benzene solutions with carbon tetrachloride as solvent. A detailed description of the high resolution microwave spectrometer is given in the appendix.

14N Quadrupole Interactions in Nitrogen-Containing Ceramics. Effects on 29Si NMR Line Shapes and Structural Implications

1992 ◽  
Vol 47 (1-2) ◽  
pp. 39-44 ◽  
Author(s):  
Alejandro Olivieri
Keyword(s):  
Solid State ◽  
Nmr Spectra ◽  
Dipolar Coupling ◽  
Coupling Constants ◽  
Simple Equation ◽  
29Si Nmr ◽  
Experimental Conditions ◽  
Line Shapes ◽  
Quadrupole Interactions ◽  
Quadrupole Coupling

AbstractSimulations of solid-state 29Si NMR spectra in nitrogen-containing silicon ceramics and glasses are described. The range of SiNxO4-x tetrahedra is covered, with emphasis on the experimental conditions needed to observe the effect of the incompletely averaged 29Si, 14N dipolar coupling. A simple equation is discussed concerning its use in the interpretation of these 29Si spectra, including the computation of 14N quadrupole coupling constants with its absolute sign.

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