The electronic structure of organometallic complexes of the f elements XXVIII: Interpretation of the optical and magnetochemical data of a cyclohexylisocyanide adduct derived from Tris(η-cyclopentadienyl)samarium(III)

The absorption spectrum of Cp₃Sm·CNC₆H₁₁ has been measured at room temperature and at low temperatures in a hydrocarbon glass and in a KBr pellet. Electron paramagnetic resonance and magnetic susceptibility measurements are also reported in this paper. The observed optical bands were assigned on the basis of calculations which assumed that the crystal field parameters of the samarium complex were the same as for the previously analyzed Cp₃Pr·CNC₆H₁₃. The parameters of an empirical Hamiltonian were fitted to the energies of 39 levels to give an r.m.s. deviation of 21 cm⁻. On the basis of the wavefunctions of the crystal field ground state obtained from the fit, the ground state g values and the temperature-dependent magnetic susceptibility were calculated and compared with the experimental values.