Related Experiment Video
Updated: Jul 23, 2025

Hyperspectral Imaging as a Tool to Study Optical Anisotropy in Lanthanide-Based Molecular Single Crystals
Published on: April 14, 2020
Octahedral lanthanide clusters containing a central PO43- anion: structural, luminescent, magnetic and relaxometric
Yi-Ping Qu1, Xin-Da Huang1, Kui Xu1
1State Key Laboratory of Coordination Chemistry, Coordination Chemistry Institute, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, P. R. China. lmzheng@nju.edu.cn.
Abstract:
Lanthanide clusters with good stability and intriguing physical properties are attractive in many fields. By reacting 9-anthracenylphosphonic acid (AnPO3H2) and lanthanide nitrates under solvothermal conditions, we obtained a series of hexanuclear lanthanide phosphonate cages [H3O][Ln6(PO4)(AnPO3)8(DMF)6]·2DMF·H2O (Ln6, Ln = NdIII, EuIII, GdIII, DyIII, HoIII, ErIII, YbIII). Within the cluster, the six Ln atoms form an octahedron and its eight faces are covered by phosphonate groups. The in situ generated phosphate anion resides inside the cage and binds to the six Ln atoms via its four oxygen atoms. Photoluminescence studies show that Nd6, Er6 and Yb6 can emit near-infrared (NIR) luminescence due to the energy transfer from the anthracene ligand to the lanthanide ions. Magnetic studies reveal the magnetocaloric effect of Gd6 with an entropy change (-ΔSm) of 25.92 J kg-1 K-1 at 2.5 K and ΔH = 0-7 T. The possibility of using Gd6 as a contrast agent for magnetic resonance imaging was also explored with longitudinal (r1) and transverse (r2) relaxivities of 5.68 mM-1 s-1 per Gd and 158.11 mM-1 s-1 per Gd, respectively.
Related Concept Videos
Valence Bond Theory
Colors and Magnetism
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
Crystal Field Theory - Tetrahedral and Square Planar Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
Coordination Number and Geometry

