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EPR study on UV-irradiated single crystal of(NH_3iPr)_6[Mo_8O_(?)(CHO)_2]·2H_2O was carrie(?)out at room temperature.Three sets of EPR lines were observed.Spectra Ⅰand Ⅱ are attributedrespectively to paramagnetic Mo(V)centre(A)and(B).Line Ⅲ may be assigned to an unstableparamagnetic centre.Using the least-squares-fitting method to calculate the Hamiltonian parameters,we got the accurate principal values of g,hyperfine A_(Mo) and ligand hyperfine AH tensors,as well asthe direction cosines of their principal axes with respect to experimental coordinate system(xyz).Theelectron spin density was calculated from A value.The results showed that the unpaired electronoccupies 4d orbital of molybdenum which appreciably contributes to the molecular orbital and themechanism of direct spin coupling between the unpaired spin orbital of molybdenum and hydrogenorbital.
EPR study on UV-irradiated single crystal of (NH_3iPr) _6 [Mo_8O_ (?) (CHO) _2] · 2H_2O was carrie (?) Out at room temperature.Three sets of EPR lines were observed. Spectra Ⅰ and Ⅱ are attributedrespectively to paramagnetic Using the least-squares-fitting method to calculate the Hamiltonian parameters, we got the accurate principal values of g, hyperfine A_ (Mo) (A) and (B) .Line III may be assigned to an unstable paramagnetism center ) and ligand hyperfine AH tensors, as well asthe direction cosines of their principal axes with respect to experimental coordinate system (xyz). The electron spin density was calculated from A value. The results showed that the unpaired electronoccupies 4d orbital of molybdenum- the molecular orbital and themechanism of direct spin coupling between the unpaired spin orbital of molybdenum and hydrogenorbital.