EPR and Optical Absorption Studies of VO²⁺ Doped Trisodium Citrate Dihydrate Single Crystals

Abstract

The electron paramagnetic resonance of VO

Theoretical studies on the electron paramagnetic resonance parameters for the tetragonal VO2+ center in CaO-Al2O3-SiO2 system

“…It should be pointed out that the signs of the hyperfine structure constants are very difficult to determine. Thus, many experiments give them as absolute ones [1,2,6,21]. Our calculations indicate that both signs of A and A ⊥ are negative, this point is in accordance with the Ref.…”

“…In view of the high valence state of V 4+ , the covalency and hence the significant admixture between the metal and ligand orbitals can be expected. In addition, the validity of the average covalency factor N can be further demonstrated by the relationship: [2,[20][21]. So, the tetragonal compression ∆R obtained in this work is reliable.…”

“…Thus, the integrals S dpt ≈ 0.04553, S dpe ≈ 0.1198, S ds ≈ 0.0896 and A ≈ 1.0283 can be calculated from the Slater-type SCF functions [18][19] and the metal-ligand bonding length R(≈ 1.985Å [13]). According to the optical spectra parameter for VO 2+ doped in glasses and crystals, [20][21] (12), the core polarization constant k is taken as 0.84, which is the same as κ(≈ 0.84) adopted in the previous work, [7]. Thus, there are only one unknown parameters ∆R in the formulae of the EPR parameters.…”

Oxovanadium(IV) complexes based onS-alkyl-thiosemicarbazidato ligands. Synthesis, characterization, electrochemical, and antioxidant studies

“…McGarvey. [39] In most VO 2+ -centered complexes, the P value has been obtained around 140 G. [40] In our calculations, we used the theoretical one and β 2 2 = 0.93 as used in the literature for several VO 2+ complexes, for example, trisodium citrate dihydrate (Na 3 C 6 H 5 O 7 · 2H 2 O) [41] and TSeDPzH 2 , [42] and κ = 0.9 was adopted (Table 2). Besides, the isotropic parameters A 0 s were calculated using Equation (4) above.…”

Investigations of the EPR and Optical Spectra for VO2+in C3H7NO2Powders

“…The VO 2+ (or V 4+ ) ions were used extensively as a dopant material in various systems [1][2][3][4][5][6][7][8][9]. Recently, VO 2+ doped C 3 H 7 NO 2 powders have been examined by electron paramagnetic resonance (EPR) and optical absorption spectroscopy [5].…”