Correlation-crystal-field analysis of Sm3+:Na3[Sm(oxydiacetate)3]⋅2NaClO4⋅6H2O

Abstract

In several recent studies orthogonal correlation-crystal-field (CCF) operators for the ${\mathit{f}}^{\mathit{N}}$ configuration have been used to improve fits to the energy levels of several lanthanide compounds. Here we report results for ${\mathrm{Sm}}^{3+}$:${\mathrm{Na}}_3$[Sm(oxydiacetate${)}_3$]⋅${2\mathrm{N}\mathrm{a}\mathrm{C}\mathrm{l}\mathrm{O}}_4$⋅${6\mathrm{H}}_2$O. We show that the addition of fourth rank orthogonal CCF operators ${\mathit{g}}_2^{\mathrm{}\left(4\right)\mathrm{}}$, ${\mathit{g}}_4^{\mathrm{}\left(4\right)\mathrm{}}$, ${\mathit{g}}_{10\mathit{A}}^{\mathrm{}\left(4\right)\mathrm{}}$, and ${\mathit{g}}_{10\mathit{B}}^{\mathrm{}\left(4\right)\mathrm{}}$ to the Hamiltonian for the 4${\mathit{f}}^5$ configuration improves the fit. Our fits are in qualitative agreement with ab initio calculations of CCF effects for lanthanide ions.