Dependence of the TDPAC spectra on teh orientation of the principal axis system of the electric field gradient

1979 ◽  
Vol 7 (1) ◽  
pp. 323-331 ◽  
Author(s):  
M. Rots ◽  
J. Claes ◽  
F. Namavar
Keyword(s):  
Electric Field ◽  
Electric Field Gradient ◽  
Field Gradient ◽  
Principal Axis ◽  
Principal Axis System

Orientation of the EFG Tensor with Respect to the Heme Group of Deoxymyoglobin

1976 ◽  
Vol 31 (4) ◽  
pp. 487-490 ◽  
Author(s):  
Y. Maeda ◽  
T. Harami ◽  
A. Trautwein ◽  
U. Gonser
Keyword(s):  
Electric Field ◽  
Single Crystal ◽  
Electric Field Gradient ◽  
Coordinate System ◽  
Field Gradient ◽  
Asymmetry Parameter ◽  
Principal Axis ◽  
Heme Group ◽  
Principal Axis System ◽  
The Asymmetry

Following Zimmermann’s method of correlating intensity tensors from single crystal Mössbauer spectra with electric field gradient (EFG) tensors we are able to derive a manyfold of solutions for the orientation of the principal axis system of the local EFG with respect to the heme coordinate system in deoxymyoglobin. Comparing these results with theoretical estimates of the asymmetry parameter η we are able to limit the range of possible orientations of , and we find Vẑẑ to be rather close to the heme plane with a deviation from that of at most 14°.

Der Tensor des elektrischen Feldgradienten am Cl-Atom des Äthylchlorids aus mikrowellenspektroskopischen Messungen / The Tensor of the Electric Field Gradient at the Cl-Nucleus of Äthylchlorid from Microwave Spectroscopic Measurements

1978 ◽  
Vol 33 (4) ◽  
pp. 455-461 ◽  
Author(s):  
Walter Braun
Keyword(s):  
Electric Field ◽  
Electric Field Gradient ◽  
Field Gradient ◽  
Asymmetry Parameter ◽  
Principal Axis ◽  
Small Deviation ◽  
Gradient Tensor ◽  
Complete Field ◽  
Principal Axis System ◽  
Cl Atom

From microwave spectra of the molecules CH3CH235Cl, CD3CH235Cl, CH3CD235Cl, CD3CD235Cl, CD2HCD235Cl-sy, CH2DCH235Cl-sy the field gradient tensor at the Cl-nucleus was determined. The investigation results in an asymmetry parameter of 0.015 and a small deviation between the field gradient axis and the C-Cl-bond axis of 0.7°. The complete field gradient tensor in the principal axis system was determined for the molecules CD2HCD235Cl-asy, CH2DCH235Cl-asy and CH3CHD35Cl.

Sign and Orientation Determination of the Principal Axis of the Electric Field Gradient in Fe57 Enriched Deoxygenated Myoglobin Single Crystals

1974 ◽  
Vol 29 (3-4) ◽  
pp. 241-244 ◽  
Author(s):  
Ulrich Gonser ◽  
Yutaka Maeda ◽  
Alfred Trautwein ◽  
Fritz Parak ◽  
Helmut Formanek
Keyword(s):  
Electric Field ◽  
Electric Field Gradient ◽  
Single Crystals ◽  
Field Gradient ◽  
Principal Axis ◽  
Quadrupole Split ◽  
Mössbauer Measurements ◽  
Orientation Determination ◽  
Two Alternatives

Single crystals of myoglobin enriched on Fe57 with a diameter of about 0.5 mm were prepared. After deoxygenation crystallographic alignment and Mössbauer measurements were carried out at 77°K. In the experiment eight different orientations were selected by rotating the crystal around the b axis, thus, b axis and γ-ray propagation direction remained perpendicular to each other. From the intensity ratio of the quadrupole split spectra we derive the sign and the orientation of the principal axis of the electric field gradient. We find Vzz to be positive and forming an angle of 40° to the b axis. From two alternatives consistent with our experiments we conclude that VZZ is most likely oriented along one of the four Fe-N directions in the heme.

scholarly journals Магнитные состояния ионов Fe-=SUP=-2+-=/SUP=- в Fe-=SUB=-x-=/SUB=-Mn-=SUB=-1-x-=/SUB=-S, индуцированные химическим давлением

2021 ◽  
Vol 63 (1) ◽  
pp. 69
Author(s):  
Г.М. Абрамова ◽  
Ю.В. Князев ◽  
О.А. Баюков ◽  
С.П. Кубрин
Keyword(s):  
Electric Field ◽  
Electric Field Gradient ◽  
Field Gradient ◽  
Spin State ◽  
Asymmetry Parameter ◽  
Principal Axis ◽  
High Spin State ◽  
Electric Field Gradient Tensor ◽  
Gradient Tensor ◽  
Chemical Pressure

The effect of chemical pressure (x) on the spin state of iron ions in FexMn1-xS single crystals (0.12≤ x≤0.29) is studied by the method of Mössbauer spectroscopy in the range 4.2-300 K. Features of the formation of the paramagnetic and antiferromagnetic phases for solid solutions are revealed. It was found that when x changes in FexMn1-xS, the Mn2 + cations are replaced by Fe2 + cations in the high-spin state. A decrease in the interionic distances in FexMn1-xS causes a change in the state of Fe2 + ions in the samples at x = 0.25 and 0.29. In the magnetically ordered phase at 4.2 K, the changes in the asymmetry parameter of the electric field gradient tensor (EFG) and the angle between the directions of the magnetic moment and the principal axis of the electric field gradient from 21o in the sample from x = 0.12 to 33o at x = 0.29 were observed.

The Orientation of the Electric Field Gradient Tensor in CO-Liganded Myoglobin

1977 ◽  
Vol 32 (7-8) ◽  
pp. 507-512 ◽  
Author(s):  
F. Parak ◽  
U. F. Thomanek ◽  
D. Bade ◽  
B. Wintergerst
Keyword(s):  
Electric Field ◽  
Electric Field Gradient ◽  
Field Gradient ◽  
Principal Axis ◽  
Sperm Whale ◽  
Electric Field Gradient Tensor ◽  
Iron Nucleus ◽  
Singlet Ground State ◽  
Gradient Tensor ◽  
Sperm Whale Myoglobin

Abstract The EFG-tensor at the position of the Fe-atom of CO-liganded sperm whale myoglobin has been investigated by nuclear γ-resonance absorption experiments on single crystals. In addition the tem­ perature dependence of the quadrupole splitting of the 14.4 keV level of the iron nucleus was measured. An unambiguous solution for the magnitude and the orientation of the field gradient tensor could only be obtained with the assumption that a C2-axis perpendicular to the haem plane is one principal axis of the electric field gradient tensor. Within this solution the electronic struc­ture of the iron is described by a singlet ground state with ηz = 0.75 and the largest EFG component perpendicular to the haem plane.

Spontaneous electric polarization and electric field gradient in hybrid improper ferroelectrics: insights and correlations

2021 ◽  
Author(s):  
Samuel Silva dos Santos ◽  
Michel L. Marcondes ◽  
Ivan P. Miranda ◽  
Pedro Rocha-Rodrigues ◽  
Lucy Vitória Credidio Assali ◽  
...  
Keyword(s):  
Electric Field ◽  
Electric Field Gradient ◽  
Ab Initio ◽  
Field Gradient ◽  
Electric Polarization ◽  
Double Perovskites

An ab-initio study for several hybrid improper ferroelectric (HIF) materials in the Ruddlesden-Popper phases and double perovskites structures is here presented. The focus is on the correlation between the electric...

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