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Superposition model analysis of zero field splitting forMn2+ in ZnX2(OPPh3)2 (X = Cl, Br) and ammoniumtetra fluorozincate (II) dihydrate single crystals

S.S.Hooda, R.S.Bansal

The Newman superposition model has been used to investigate the substitution ofMn2+ for Zn2+ site in Dichlorobis (triphenylphosphine oxide) zinc (II), Dibromobis (triphenylphosphine oxide) zinc (II)AmmoniumTetra Fluorozincate (II) Dihydrate (ATFD) single crystals. The calculated values of zero field splitting parameter b0 2 at roomtemperature fit the experimental one taken from the literature with average intrinsic parameters b2 (Cl) = - 0.0267 cm-1,b2(Br) = -0.0500 cm-1, b2 (F) = -0.0531 cm-1 and, b2 (O) = - 0.0280 cm-1 taken t2 = 7 and t4 = 10 for Mn2+ doped in Dichlorobis (triphenylphosphine oxide) zinc (II), Dibromobis (triphenylphosphine oxide) zinc (II) and Ammonium Tetra Fluorozincate (II) Dihydrate single crystals. The superposition model analysis shows that for large values of b2 0, b2 2, b4 0, b4 2 and b4 4 intrinsic parameters and can be estimated with suitable error but for small values of these parameters it is very difficult to predict the correct sign and magnitude. The present study about superposition model is very useful to get information about the zero field splitting of Mn2+ ions in some host single crystals