Interstitial Substitution of VO(II) in Hexaaquazinc(diaquabismalonato)zincate: A Rare Observation

Single-crystal electron paramagnetic resonance (EPR) studies of VO(II) doped in hexaaquazinc(diaquabismalonto)zincate have been performed at room temperature. Single-crystal rotations along the three orthogonal axes show the presence of a single site in an interstitial position and the location has...

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Bibliographic Details
Published in:Applied magnetic resonance 2010-06, Vol.38 (3), p.295-306
Main Authors: Arun Prasath Lingam, K., Mithira, S., Sambasiva Rao, Pillutla
Format: Article
Language:English
Subjects:
Aqueous solutions
Atoms and Molecules in Strong Fields
Crystal lattices
Crystal structure
Electron paramagnetic resonance
Laser Matter Interaction
Magnetic fields
Mathematical analysis
Molecular orbitals
NMR
Nuclear magnetic resonance
Organic Chemistry
Parameter identification
Phase transitions
Physical Chemistry
Physics
Physics and Astronomy
Position (location)
Room temperature
Single crystals
Solid State Physics
Spectroscopy/Spectrometry
Spectrum analysis
Zinc
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Summary:Single-crystal electron paramagnetic resonance (EPR) studies of VO(II) doped in hexaaquazinc(diaquabismalonto)zincate have been performed at room temperature. Single-crystal rotations along the three orthogonal axes show the presence of a single site in an interstitial position and the location has been identified from crystal data of the host lattice. The spin-Hamiltonian parameters calculated from EPR spectra are g xx  = 1.973, g yy  = 1.972, g zz  = 1.930, A xx  = 7.05 mT, A yy  = 6.85 mT, A zz  = 18.93 mT. Molecular orbital coefficients β 2  = 0.71 and ε 2  = 0.62 have been calculated and reveal a moderately covalent metal–ligand bond. Optical and EPR data have been used to obtain crystal field parameters, admixture and molecular orbital coefficients.
ISSN:0937-9347
1613-7507
DOI:10.1007/s00723-010-0119-y