Redox-Triggered Switching of Conformational State in Triple-Decker Lanthanide Phthalocyaninates.

ABSTRACT: Double- and triple-decker lanthanide phthalocyaninates exhibit unique physical-chemical properties, particularly single-molecule magnetism. Among other factors, the magnetic properties of these sandwiches depend on their conformational state, which is determined via the skew angle of the phthalocyanine ligands. Thus, in the present work we report the comprehensive conformational study of substituted terbium(III) and yttrium(III) trisphthalocyaninates in solution depending on the substituents at the periphery of molecules, redox-states and nature of solvents. Conjunction of UV-vis-NIR spectroscopy and quantum-chemical calculations within simplified time-dependent DFT in Tamm-Dancoff approximation provided the spectroscopic signatures of staggered and gauche conformations of trisphthalocyani

SUBMITTER: Martynov AG 

PROVIDER: S-EPMC9571987 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature