density functional theory (dft) based calculations have been performed to examine the relaxations of tautomers of 4–hydroxy–6–methylpyridin–2(1h)–one (mpo), as a representative of pyridinone derivatives, at the fullerene (c60) surfaces. optimized molecular properties including energies, dipole moments and atomic scale quadrupole coupling constants (cq) have been evaluated to investigate the str...

Permanent electric dipole moments are important for understanding symmetry breaking in molecular physics, control of chemical reactions, and realization of strongly correlated many-body quantum systems. However, large molecular permanent electric dipole moments are challenging to realize experimentally. We report the observation of ultralong-range Rydberg molecules with bond lengths of ~100 nan...

Crystallinities of high-density polyethylene (HDPE) films containing various amounts of an oxo-biodegradable additive (HES-W) were investigated immediately after preparation and 6 weeks after ultraviolet (UV) irradiation (λ=254 nm). HDPE granules were mixed with oxo-biodegradable masterbatch in a twin-screw extruder and the extrudates were converted into films with thicknesses of 35±5 micromete...

Nearly all existing nanoelectronic sensors are based on charge detection, where molecular binding changes the charge density of the sensor and leads to sensing signal. However, intrinsically slow dynamics of interface-trapped charges and defect-mediated charge-transfer processes significantly limit those sensors' response to tens to hundreds of seconds, which has long been known as a bottleneck...

Engineering the electronic structure of organics through interface manipulation, particularly the interface dipole and the barriers to charge carrier injection, is of essential importance to improve organic devices. This requires the meticulous fabrication of desired organic structures by precisely controlling the interactions between molecules. The well-known principles of organic coordination...

The efficiency of an organic light-emitting diode (OLED) depends on the microscopic orientation of transition dipole moments of the molecular emitters. The most effective materials used for light generation have 3-fold symmetry, which prohibits a priori determination of dipole orientation due to the degeneracy of the fundamental transition. Single-molecule spectroscopy reveals that the model tr...

In this study the concentration quenching phenomenon is explored for seven organic singlet emitters (Rhodamine 6G, Pyridine 2, Lumogen F Red 305, Perylene, Coumarin 102, DCM and DCJTB) in an inert host of poly(methyl methacrylate) (PMMA). Combining fluorescence lifetime and quantum yield measurements on samples of different molecular separation allows a deep decay rate analysis to be performed ...

The presence of a large molecular dipole moment in diphenyl ethers leads unequivocally to a centrosymmetric crystal structure.