Design and synthesis of air-stable and easily tailored high-performance single-molecule magnets (SMMs) are of great significance toward the implementation of SMMs in molecular-based magneto-electronic devices. Here, by introducing electron-withdrawing fluorinated substituents on equatorial ligand, two chiral Dy­(III) macrocyclic complexes, RRRR-Dy-D 6hF12 (1) and SSSS-Dy-D 6hF12 (2), with a record anisotropy barrier exceeding 1800 K and the longest relaxation time approaching 2500 s at 2.0 K for all known air-stable SMMs, were obtained. The nearly perfect axiality of the ground Kramers doublet (KD) enables the open hysteresis loops up to 20 K in the magnetically diluted sample. It is notable that they are structurally rigid with high thermal stability and the apical ligand can be tailored to carry proper surface-binding groups. This finding not only improves the magnetic properties for air-stable SMMs but also provides a new avenue for deposition of SMMs on surfaces.

We present a non-fullerene electron acceptor bearing a fused 10-heterocyclic ring with a narrow band gap, which achieved a power conversion efficiency of 6.5% when paired with PTB7-Th.

The structures, ionization potentials (IPs), electron affinities (EAs), and HOMO-LUMO gaps (∆ H-L) of the oligomers are studied by the density functional theory with B3LYP functional. The lowest excitation energies (Egs) and the maximal absorption wavelength λabs of oligomers of polyfluorene (PF) and poly(2,7-fluorene-alt-co-5,7-dihydrodibenz[c,e]oxepin) (PFDBO) are studied employing the timedependent density functional theory (TD-DFT) and ZINDO. Band gaps and effective conjugation lengths of the corresponding polymers were obtained by extrapolating HOMO-LUMO gaps and the lowest excitation energies to infinite chain length. The IPs, EAs, and λ abs of the polymers were also obtained by extrapolating those of the oligomers to the inverse chain length equal to zero (1/n ) 0). For PFDBO, IPs and EAs are higher and the band gap is larger than those of PF's from the extrapolation. The outcome shows that the dramatically twisted structure of PFDBO in the seven-membered ring results in the decreased conjugation in the chain. These cause both the maximal absorption and emission wavelengths of PFDBO blue shift compared with PF.