Spectral Studies on VO2+ doped MPPH Crystals

EPR and optical investigation of VO(II) in Zn(C3H3O4)2(H2O)2 single crystals: An interstitial site

“…Dq is the octahedral crystal field parameter which is calculated from the transition energy 1 388.5 cm À1 , and the d xy -d xz transition energy is as low as 13 885 cm À1 , probably indicating a higher symmetry around the metal ion. The admixture coefficients C 1 , C 2 and C 3 , calculated using standard procedure [20] are 0.7019, 0.7111 and 0.0404.…”

Identification of doped paramagnetic vanadyl impurity in dipotassium diaquabis(malonato-κ2O,O′) zincate dihydrate single crystal using EPR and optical techniques

“…The ground state d xy when acted upon by the spin-orbit term of the form ψ i |L.S|ψ j can mix with d x 2 −y 2 , d yz and d xz . The ground state wave function for the Kramer's doublet |± can be written, correct to second-order perturbation theory, in terms of |M l , M s as [26] 1± = ± C 1 | ± 2, ± (1/2) ± C 2 | ± 2, ± (1/2) ± C 3 | ± 1, ± (1/2)…”

“…These parameters are evaluated as These values are given in table 4, along with the other data from the literature [26,[29][30][31], for comparison. These results indicate that the symmetry around the metal ion is nearly axially symmetric on optical time scale and slightly lowered further to orthorhombic on EPR time scale.…”

Theoretical studies of the optical and EPR spectra for VO^{2+} in Na_{3}C_{6}H_{5}O_{7}·2H_{2}O single crystal

“…Electron paramagnetic resonance (EPR) has long been considered as one of the most useful tools for the experimental study of chemical bonding, structural information of the electronic and spatial configuration of paramagnetic centers [1][2][3]. The optical absorption method provides the crystal field parameters and the energy level structure of the metal ion [4,5].…”

“…Thus, EPR and optical spectrum technique are two powerful tools for studying point symmetry and dynamic properties of the transition-metal ions in the host crystals. The vanadyl ion (i.e., VO 2+ ), having 3d 1 configuration, is the most stable cation among a few molecular paramagnetic transition metal ions that is used extensively as an impurity probe for probing the site symmetry of the central ion and the bonding nature with the ligands EPR studies [1,2,[6][7][8]. Moreover, due to the strong V=O bonding in VO 2+ ion, most of the VO 2+ complexes in the crystals posses C 4v symmetry with both g and A values found to be axially symmetric [6,7].…”