EPR Analysis of Cu2+ ion Doped Potassium borodicitrate Single Crystal

Abstract

In our present investigation single crystals of Potassium borodicitrate (KBDC) (for a fixed content- host lattice) with Cu2+, a guest species, as a dopant (at four 0.2, 0.5, 1 and 2 g) in weight ratio have been synthesized at room temperature by using slow evaporation method. These as-synthesized 4 crystals have been subjected to Electron Paramagnetic Resonance (EPR) studies. The EPR spectrum shows that 0.5 g dopant KBDC give a 4 equidistant hyperfine lines with the perfect symmetry confirms that the localization of Cu2+, a paramagnetic impurity, within it reveals that the maximum absorption of EPR signals happens at 0.5 g Cu2+ than any other concentrations with reference to 20° in horizontal plane than the normal and vertical recording in the same angular projection. The Spin Hamiltonian calculations are used to obtain spectroscopic field splitting factor g-tensor values, gxx = 2.0421, gyy = 2.1962, gzz = 2.2827 and hyperfine splitting factor A-tensor values Axx = 150, Ayy = 112 and Azz = 134. The K–O bond length associated with directional cosines of gzz tensor reveal that the Cu2+ is located interstitially. This optimized single crystal has furtherance been subjected to Single cystal X-ray diffraction (SXRD), Fourier transform infrared Spectrascopy (FTIR). Scanning electron microscope (SEM) Energy dispersive X-ray analysis (EDAX) and compared with pure KBDC single crystal. The XRD unit cell crystalline parameter variations reveal that there is doping effect of Cu2+ into the host lattice brings forth structural coordination of Cu2+ with KBDC. The FTIR confirms that complexation of host and guest through molecular interactions in the finger print region. The EDAX mapping shows Cu2+ presence in the crystal. HIGHLIGHTS SXRD are taken to confirm that structure of pure KBDC and Cu2+ doped KBDC are same The spin Hamiltonian parameters of KBDC-Cu2+ single crystal are calculated through EPR spectra On analyzing the spectra, it is found that the doped ion site location symmetry is identified as interstitial and experience orthorhombic local field symmetry In addition to the above studies FTIR and EDX confirms the presence of Cu2+ ion GRAPHICAL ABSTRACT