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( η5-cyclopentadienyl)samarium(III)

• Published in: Journal of alloys and compounds 1992-03, Vol.180 (1), p.337-341
• Main Authors: Reddmann, H., Schultze, H., Amberger, H.-D., Shalimoff, G.V., Edelstein, N.M.
• Format: Article
• Language: English
• Subjects: Condensed matter: electronic structure, electrical, magnetic, and optical properties; Exact sciences and technology; Optical properties and condensed-matter spectroscopy and other interactions of matter with particles and radiation; Physics
• ISSN: 0925-8388; 1873-4669
• DOI: 10.1016/0925-8388(92)90399-T

The absorption spectrum of Cp 3Sm·CNC 6H 11 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 Cp 3Pr·CNC 6H 13. 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.