Determining the key vibrations for spin relaxation in ruffled Cu(ii) porphyrins via resonance Raman spectroscopy.

ABSTRACT: Pinpointing vibrational mode contributions to electron spin relaxation (T₁) constitutes a key goal for developing molecular quantum bits (qubits) with long room-temperature coherence times. However, there remains no consensus to date as to the energy and symmetry of the relevant modes that drive relaxation. Here, we analyze a series of three geometrically-tunable S = ½ Cu(ii) porphyrins with varying degrees of ruffling distortion in the ground state. Theoretical calculations predict that increased distortion should activate low-energy ruffling modes (∼50 cm^-1) for spin-phonon coupling, thereby causing faster spin relaxation in distorted porphyrins. However, experimental T₁ times do not follow the degree of ruffling, with the highly dist

SUBMITTER: Kazmierczak NP 

PROVIDER: S-EPMC10866354 | biostudies-literature | 2024 Feb

REPOSITORIES: biostudies-literature