Electronegativity, charge transfer, crystal field strength, and the point charge model revisited.
Although the optical spectra of LnCl(6)(3-) systems are complex, only two crystal field parameters, B(40) and B(60), are required to model the J-multiplet crystal field splittings in octahedral symmetry. It is found that these parameters exhibit R(-5) and R(-7) dependence, respectively, upon the ionic radius Ln(3+)(VI), but not upon the Ln-Cl distance. More generally, the crystal field strengths of LnX(6) systems (X = Br, Cl, F, O) exhibit linear relationships with ligand electronegativity, charge transfer energy, and fractional ionic character of the Ln-X bond.
Department of Science and Environmental Studies, The Hong Kong Institute of Education, 10 Lo Ping Street, Tai Po, Hong Kong SAR, PR China. peter.a.tanner@gmail.com
Peter A
PA
Tanner
Lixin
L
Ning