Chirality as a Feature of the Crystal Structure of Lanthanide Ion Complexes-Some Simple Examples

Single-crystal X-ray structure determinations are reported for four lanthanide complexes, [Dy(bipy)(2)Cl-2(OH2)(2)](ClH2O)-H-. (bipy = 2,2 '-bipyridine), 1; [La-2(phen)(2)(O2CCH3)(4)(NO3)(2)] (phen = 1,10-phenanthroline), 2; [Lu(terpy)(O2CCH3)(3)](NaNO3)-Na-. (terpy = 2,2 ';6 ',2 ''-terpyridine) 3; and [Lu(phen)(O2CH)(3)(OH2)](H2O)-H-., 4. Dispersion interactions within the stacked arrays of coordinated aza-aromatic units found in all four complexes appear to be a significant structural influence in the solid state. For complex 1, there are additional interactions beyond dispersion, which suggests that it may be the means whereby the Delta and ? forms contribute to the overall chiral nature of the crystal. These weak intermolecular interactions were investigated in detail using the Hirshfeld surface analysis.

Automated summary

Single-crystal X-ray structure determinations were conducted on four lanthanide complexes, revealing the dominant influence of ordered binding interactions with aza-aromatic units in all four complexes. The complex 1 also showed additional interactions that may contribute to the overall chiral nature of the crystal. Detailed analysis of these weak intermolecular interactions was performed using Hirshfeld surface analysis.