Inside Cover: Third-Order Nonlinear Optical Properties of One-Dimensional Quinoidal Oligothiophene Derivatives Involving Phenoxyl Groups (ChemistryOpen 4/2017)

Inside Cover: Third‐Order Nonlinear Optical Properties of One‐Dimensional Quinoidal Oligothiophene Derivatives Involving Phenoxyl Groups (ChemistryOpen 4/2017)

Third‐Order Nonlinear Optical Properties of One‐Dimensional Quinoidal Oligothiophene Derivatives Involving Phenoxyl Groups

The diradical characters (y) and third-order nonlinear optical (NLO) properties of open-shell quinoidal oligothiophene derivatives with phenoxyl groups, and the corresponding reduced (hydrogenated)-state oligomers, are investigated by using the broken-symmetry density functional theory method. The oxidized (dehydrogenated) states are predicted to have an open-shell singlet ground state and thei...

Optical Properties of Some Oligothiophene Derivatives: DFT Study

Polythiophenes are of considerable interest as synthetic metals. The optical properties of polythiophenes can be easily affected by alkyl chain or other side groups to the thiophene ring. The effect of polymerization degree on the energy gap was studied in the case of polythiophene as a conjugated polymer at B3LYP/6-31+G(3d,3p) level of theory. Up to n = 16 could be confident that this degree o...

The Third Order Nonlinear Optical behavior of Poly Ether Urethane

Poly (ether) urethane close/open cell (PEUCC/PEUOC) has been prepared by using in situ polymerization approach. The third-order optical nonlinearities of dissolved samples in DMF were characterized by Z-scan technique at the measurement wavelength of 532 nm. The synthesized samples were also examined by optical microscopy and UV-Vis absorption spectroscopy. The nonlinear refractive (NLR) indice...

optical properties of some oligothiophene derivatives: dft study

polythiophenes are of considerable interest as synthetic metals. the optical properties of polythiophenes can be easily affected by alkyl chain or other side groups to the thiophene ring. the effect of polymerization degree on the energy gap was studied in the case of polythiophene as a conjugated polymer at b3lyp/6-31+g(3d,3p) level of theory. up to n = 16 could be confident that this degree o...