A Theoretical Analysis of Zero Field Splitting of Mn in Ammonium Oxalate Monohydrate
نویسندگان
چکیده
The superposition model has been used to investigate the substitution of Mn in ammonium oxalate monohydrate. The zero field splitting parameters D and E calculated by the superposition model are compared with the experimental values Dexp and Eexp, respectively, for Mn obtained by electron paramagnetic resonance. Both the zero field splitting parameters D and E calculated theoretically are in good agreement with the experimental values Dexp and Eexp. The result indicates that the Mn ion substitutes for the NH+4 ion in ammonium oxalate monohydrate.
منابع مشابه
The composition and quantitative analysis of urinary calculi in patients with renal calculi.
To get complete information about the chemical composition and physicochemical principles underlying the formation of stone there is a need for more precise information. At present there is no single analytical procedure that provides an exact quantitative analysis of urinary calculi. In this present procedure it is assumed that only calcium oxalate monohydrate, hydroxyapatite, or magnesium amm...
متن کاملAssigning the EPR Fine Structure Parameters of the Mn(II) Centers in Bacillus subtilis Oxalate Decarboxylase by Site-Directed Mutagenesis and DFT/MM Calculations
Oxalate decarboxylase (OxDC) catalyzes the Mn-dependent conversion of the oxalate monoanion into CO2 and formate. EPR-based strategies for investigating the catalytic mechanism of decarboxylation are complicated by the difficulty of assigning the signals associated with the two Mn(II) centers located in the N- and C-terminal cupin domains of the enzyme. We now report a mutational strategy that ...
متن کاملEPR Spectra of V0 Doped Ammonium Oxalate Monohydrate Single Crystals
für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...
متن کاملFourier transform infrared spectroscopy for analysis of kidney stones
Purpose To compare the results of a chemical method of kidney stone analysis with the results of Fourier transform infrared (FT-IR) spectroscopy. Materials and Methods Kidney stones collected between June and October 2015 were simultaneously analyzed by chemical and FT-IR methods. Results Kidney stones (n=449) were collected from patients from 1 to 81 years old. Most stones were from adults...
متن کاملLaser Irradiated Nucleation Reduction Strategy of AMHP (Ammonium Magnesium Hydrogen Phosphate, In-Vivo Approach-1) Crystals in Gel Medium and its Characterization Studies
Kidney stone consists of various organic, inorganic and semi organic compounds. Mineral oxalate monohydrate and di-hydrate is the main inorganic constituent of kidney stones. However, mechanisms leading to the formation of mineral oxalate kidney stones are not clearly understood. In this field of study, there are several hypotheses including nucleation, crystal growth and or aggregation of form...
متن کامل