Abstract

AbstractThe single‐crystal X‐ray diffraction analysis of the title compound, the pyrene‐substituted unsymmetrical bis(phthalocyaninato)terbium(III) Single‐Molecule Magnet (SMM) [Pc–Tb–Pc*]0 (1) (Pc = dianion of phthalocyanine, P* = dianion of phthalocyanine decorated with six flexible hexyl chains and one 4‐pyren‐1yl‐butoxy group), was carried out. Both phthalocyaninato ligands in 1 are distorted from planarity and, therefore, adopt a biconcave shape. Effective π–π interactions between the molecules lead to the formation of head‐to‐tail π dimers. These dimers are stacked in the crystal, forming adjacent, parallel columns, the axes of which are tilted by 30° with respect to the C4 axes of the macrocycles. Herein, we also report the synthesis and characterization of the new isostructural Dy (compound 2) and Ho (compound 3) analogues of 1.

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