Article ID Journal Published Year Pages File Type
1229821 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2016 4 Pages PDF
Abstract

•Mn2+ doped KBr and VO2+ doped KH2PO4 single crystals grown in high pressure reactor was studied.•The A and g values of the paramagnetic centers and the electronic transitions were determined.•Using the values determined from spectra, structures and molecular orbital parameters were found.

In previous works under open atmosphere at various temperatures KBr host crystal never accepted paramagnetic Mn2+ ion in its lattice, but KH2PO4 host crystal accepted VO2+ ion in its lattice where K+ ion substituted with VO2+. In a series of works using high-pressure reactor at various pressures and temperatures under different gas atmospheres, Mn2+ ion was inserted in KBr host, and VO2+ ion was inserted in KH2PO4 host in sites different from those observed in previous works. The best results were obtained for Mn2+ doped KBr at pressure of 100 bars and 50 °C under Argon atmosphere, and for VO2+ doped KH2PO4 at pressure of 100 bars and temperature of 50 °C under oxygen atmosphere. The structural parameters of paramagnetic species formed were determined by EPR spectroscopy and optical transitions were determined by UV–Vis spectroscopy.

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Physical Sciences and Engineering Chemistry Analytical Chemistry
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