Molecular Pseudorotation in Phthalocyanines as a Tool for Magnetic Field Control at the Nanoscale

J Am Chem Soc. 2024 May 29;146(21):14620-14632. doi: 10.1021/jacs.4c01915. Epub 2024 May 14.

Abstract

Metal phthalocyanines, a highly versatile class of aromatic, planar, macrocyclic molecules with a chelated central metal ion, are topical objects of ongoing research and particularly interesting due to their magnetic properties. However, while the current focus lies almost exclusively on spin-Zeeman-related effects, the high symmetry of the molecule and its circular shape suggests the exploitation of light-induced excitation of 2-fold degenerate vibrational states in order to generate, switch, and manipulate magnetic fields at the nanoscale. The underlying mechanism is a molecular pseudorotation that can be triggered by infrared pulses and gives rise to a quantized, small, but controllable magnetic dipole moment. We investigate the optical stimulation of vibrationally induced molecular magnetism and estimate changes in the magnetic shielding constants for confirmation by future experiments.