Surfaces of synthesis cobalt disulfide has high electron density that could interact with polycyclic aromatic compounds by π-π stacking. Cobalt disulfide was synthesized with the hydrothermal method and characterized by field emission scanning electron microscopy, X-ray diffraction and energy-dispersive X-ray. Using tetracycline as a model analyte, the batch adsorption experiments were c...

Self-assembly of π-conjugate molecules often leads to formation of well-defined nanofibril structures dominated by the columnar π-π stacking between the molecular planes. These nanofibril materials have drawn increasing interest in the research frontiers of nanomaterials and nanotechnology, as the nanofibers demonstrate one-dimensionally enhanced exciton and charge diffusion along the long axis...

We simulate electron dynamics following ionization in 2-phenyl-ethyl-amine and 2-phenylethyl-N,N-dimethylamine as examples of systems where 3 coupled cationic states are involved. We study two nuclear effects on electron dynamics: (i) coupled electron-nuclear motion and (ii) nuclear spatial delocalization as a result of the zero-point energy in the neutral molecule. Within the Ehrenfest approxi...

The bis-Schiff base title compound, C(20)H(16)N(2)O(4)·C(7)H(8), crystallized as a toluene solvate. In the solid state, it is present as its prototropic tautomer formed by transfer of one of the ortho-hydroxyl H atoms. The proton transfer is accompanied by a shift of electron pairs, as is evident from the observed C-O and C-N bond distances of 1.305 (2) and 1.315 (2) Å, which are largely consis...

The reaction of MesP=CPh2 with the least sterically demanding N-heterocyclic carbene (NHC = IMe) results in formation of the 'abnormal' (C(4)-substituted) 4-phosphino-NHC (1). In contrast, reaction with Me2IMe gives the unprecedented 'normal' C(2) adduct, Me2IMe → P(Mes)=CPh2 (2). Particularly striking is the asymmetric and weak bonding of the NHC to the P=C moiety in 2. DFT calculations indica...

Abstract Polyethylene oxide (PEO) incorporated with potassium permanganate (KMnO 4 ) was prepared using the solution casting technique forming PEO/KMnO complex composite films. The physicochemical properties, doping mechanism, and electron transition bands of were investigated. Introducing KMnO PEO matrix led to a decrease in crystallinity degree optical bandgap energy due creation polarons bip...