Giant spin-phonon bottleneck effects in evaporable vanadyl-based molecules with long spin coherence.

摘要: Vanadium(IV) complexes have recently shown record quantum spin coherence times that in several circumstances are limited by spin–lattice relaxation. The role of the environment and vibronic properties low temperature dynamics is here investigated a comparative study magnetization as function crystallite size steric hindrance β-diketonate ligands VO(acac)2 (1), VO(dpm)2 (2) VO(dbm)2 (3) evaporable (acac− = acetylacetonate, dpm− dipivaloylmethanate, dbm− dibenzoylmethanate). A pronounced dependence relaxation time observed at unusually high temperatures (up to 40 K), which associated with giant spin–phonon bottleneck effect. We model this behaviour an ad hoc force field approach derived from density functional theory calculations, evidences correlation intensity phenomenon ligand dimensions unit cell size.