ChemInform Abstract: EPR Spectrum of Tetragonally Compressed CuF64-: Ligand and Metal Hyperfine Parameters.

1986 ◽  
Vol 17 (23) ◽  
Author(s):  
M. A. HITCHMAN ◽  
R. G. MCDONALD ◽  
D. REINEN
Keyword(s):  
Hyperfine Parameters ◽  
Epr Spectrum

EPR spectrum of tetragonally compressed hexafluorocuprate(4-): ligand and metal hyperfine parameters

1986 ◽  
Vol 25 (4) ◽  
pp. 519-522 ◽  
Author(s):  
Michael A. Hitchman ◽  
R. G. McDonald ◽  
D. Reinen
Keyword(s):  
Hyperfine Parameters ◽  
Epr Spectrum

A Rare Low Spin Co(IV) Bis-Silyldiamide with High Thermal Stability: Exploring the Origin of an Unusual S = 1/2 Configuration

2020 ◽  
Author(s):  
David Zanders ◽  
Goran Bačić ◽  
Dominique Leckie ◽  
Oluwadamilola Odegbesan ◽  
Jeremy M. Rawson ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Density Functional ◽  
Atomic Layer ◽  
Epr Spectrum ◽  
Functional Theory ◽  
Cluster Calculations ◽  
Layer Deposition ◽  
Starting Point ◽  
Higher Spin ◽  
Surface Saturation

Attempted preparation of a chelated Co(II) β-silylamide re-sulted in the unprecedented disproportionation to Co(0) and a spirocyclic cobalt(IV) bis(β-silyldiamide): [Co[(NtBu)2SiMe2]2] (1). Compound 1 exhibits a room temperature magnetic moment of 1.8 B.M and a solid state axial EPR spectrum diagnostic of a rare S = 1/2 configuration. Semicanonical coupled-cluster calculations (DLPNO-CCSD(T)) revealed the doublet state was clearly preferred (–27 kcal/mol) over higher spin configurations for which density functional theory (DFT) showed no energetic preference. Unlike other Co(IV) complexes, 1 had remarkable thermal stability, and was demonstrated to form a stable self-limiting monolayer in initial atomic layer deposition (ALD) surface saturation tests. The ease of synthesis and high-stability make 1 an attractive starting point to begin investigating otherwise inaccessible Co(IV) intermediates and synthesizing new materials.

Relativistic Calculation of Hyperfine Parameters of Mercury Compounds

2014 ◽  
Vol 3 (3) ◽  
pp. 284-290 ◽  
Author(s):  
Michael Filatov ◽  
Wenli Zou ◽  
Dieter Cremer
Keyword(s):  
Hyperfine Parameters ◽  
Mercury Compounds ◽  
Relativistic Calculation

Radiation Effects on Hollandite Ceramics developed for Radioactive Cesium Immobilization

2003 ◽  
Vol 792 ◽  
Author(s):  
V. Aubin ◽  
D. Caurant ◽  
D. Gourier ◽  
N. Baffier ◽  
S. Esnouf ◽  
...  
Keyword(s):  
Radiation Effects ◽  
Liquid Waste ◽  
Fission Products ◽  
Radioactive Cesium ◽  
Radioactive Liquid Waste ◽  
Epr Spectrum ◽  
Paramagnetic Resonance ◽  
Γ Radiation ◽  
The Stability ◽  
High Level

ABSTRACTProgress on separating the long-lived fission products from the high level radioactive liquid waste (HLW) has led to the development of specific host matrices, notably for the immobilization of cesium. Hollandite (nominally BaAl2Ti6O16), one of the main phases constituting Synroc, receives renewed interest as specific Cs-host wasteform. The radioactive cesium isotopes consist of short-lived Cs and Cs of high activities and Cs with long lifetime, all decaying according to Cs+→Ba2++e- (β) + γ. Therefore, Cs-host forms must be both heat and (β,γ)-radiation resistant. The purpose of this study is to estimate the stability of single phase hollandite under external β and γ radiation, simulating the decay of Cs. A hollandite ceramic of simple composition (Ba1.16Al2.32Ti5.68O16) was essentially irradiated by 1 and 2.5 MeV electrons with different fluences to simulate the β particles emitted by cesium. The generation of point defects was then followed by Electron Paramagnetic Resonance (EPR). All these electron irradiations generated defects of the same nature (oxygen centers and Ti3+ ions) but in different proportions varying with electron energy and fluence. The annealing of irradiated samples lead to the disappearance of the latter defects but gave rise to two other types of defects (aggregates of light elements and titanyl ions). It is necessary to heat at relatively high temperature (T=800°C) to recover an EPR spectrum similar to that of the pristine material. The stability of hollandite phase under radioactive cesium irradiation during the waste storage is discussed.

scholarly journals The novel “g' = 1.74” EPR spectrum of pink and purple uteroferrin.

1980 ◽  
Vol 255 (23) ◽  
pp. 11204-11209 ◽  
Author(s):  
B.C. Antanaitis ◽  
P. Aisen ◽  
H.R. Lilienthal ◽  
R.M. Roberts ◽  
F.W. Bazer
Keyword(s):  
The Novel ◽  
Epr Spectrum

Temperature Dependence of the EPR Spectrum of Copper(II)- carnosine

1976 ◽  
Vol 6 (2) ◽  
pp. 119-121 ◽  
Author(s):  
Ronald E. Viola ◽  
Charles R. Hartzell ◽  
Joseph J. Villafranca
Keyword(s):  
Temperature Dependence ◽  
Epr Spectrum

Temperature dependence of the EPR spectrum of Co2 ion in crystals Zn(BF4)2 × 6H2O

2003 ◽  
Vol 236 (3) ◽  
pp. 640-644 ◽  
Author(s):  
G. N. Neilo ◽  
A. A. Prokhorov ◽  
S. N. Lykin ◽  
A. S. Karnachev ◽  
A. D. Prokhorov
Keyword(s):  
Temperature Dependence ◽  
Epr Spectrum
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