Crystal Structures, Hirshfeld Surfaces, and Thermal Study of Isostructural Polymeric Ladders of La(III) and Sm(III) Coordination Compounds with 4,4'-Bipyridine and Dibromoacetates

Agnieszka Czylkowska; Anna Pietrzak; Małgorzata Szczesio; Bartłomiej Rogalewicz; Jakub Wojciechowski

doi:10.3390/ma13194274

Crystal Structures, Hirshfeld Surfaces, and Thermal Study of Isostructural Polymeric Ladders of La(III) and Sm(III) Coordination Compounds with 4,4'-Bipyridine and Dibromoacetates

Materials (Basel). 2020 Sep 25;13(19):4274. doi: 10.3390/ma13194274.

Authors

Agnieszka Czylkowska¹, Anna Pietrzak¹, Małgorzata Szczesio¹, Bartłomiej Rogalewicz¹, Jakub Wojciechowski¹

Affiliation

¹ Institute of General and Ecological Chemistry, Faculty of Chemistry, Lodz University of Technology, Zeromskiego 116, 90-924 Lodz, Poland.

Abstract

Two novel mixed ligand complexes with general formula [M₂(4,4'-bpy)_1.5(CBr₂HCOO)₆(H₂O)₂]_n (where 4,4'-bpy = 4,4'-bipyridine) were synthesized. Thermal analysis was used to describe a solid intermediate and final products of thermolysis. A coupled TG-MS system was used to monitor principal volatile fragments evolved during pyrolysis. Crystal structures of the complexes were determined. Cationic dinuclear M₂ (M(III) = La, Sm) coordination cores were obtained. Both crystal structures are isostructural. Single crystal X-ray diffraction analysis revealed that investigated structures of 1D coordination polymers assembled in ladder-like systems. The central atom replacement resulted in unit cell identity parameter П = 0.0091. Additionally, the isostructurality of the reported La(III) and Sm(III) complexes was revealed using Hirshfeld Surface analysis supported by Enrichment Ratio calculations.

Keywords: Hirshfeld surface; TG-MS study; X-ray structure; coordination polymer; enrichment ratio; lanthanum and samarium complexes.