Chungwen Liang,1, 2, ∗ Gabriele Tocci,1, 2 David M. Wilkins,1, 2 Andrea Grisafi,1 Sylvie Roke,2 and Michele Ceriotti1 Laboratory of Computational Science and Modeling, Institute of Materials, École Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland Laboratory for fundamental BioPhotonics, Institutes of Bioengineering and Materials Science and Engineering, School of Engineering, and ...

Linear and nonlinear properties of isoindoline-1,3-dione-fullerene-isoindoline-1,3-dione with the five phases were studied. The geometries combination attained using density functional theory DFT/B3LYP/6-31G+(d,p). calculated are static polarizability, anisotropy polarizability first hyperpolarizability at equilibrium geometry. In this article, theoretical design NLO molecules is discussed. res...

Nonlinear optical (NLO) materials have highly interesting photo-physical behaviors, which a wide variety of applications, from optoelectronics to medicine. NLO properties together with infrared (IR) and nuclear magnetic resonance (NMR) analyses on the interaction between hydroquinone (HQ) pristine boron or silicon doped C60 fullerene systems been investigated by density functional theory (DFT)....

Chirality in molecular opto-electronics is limited sofar to the use of optically active liquid crystals and a number of optical phenomena are related to the helical macroscopic structure obtained by using one enantiomer, only. In this paper, the use of chirality in nonlinear optics and optical switching is demonstrated. The additional options offered by the combination of circularly polarized l...

Improved nonlinear organic chromophores of varying conjugation length with either thiobarbituric acid or 3-dicyanomethylene-2,3-dihydrobenzothiophene-1,1-dioxide (FORON® Blue) acceptors have been synthesized and investigated for their nonlinear optical properties. Very large quadratic hyperpolarizabilities b(22v; v, v) have been found, up to 25,700 3 10248 esu at l 5 1.91 mm. In a guest–host po...

A chalcone derivative, 1-(5-bromothiophen-2-yl)-3-(2,3-dimethoxyphenyl)prop-2-en-1one (BTDMP), has been synthesized and grown as a high-quality single crystal by the slow evaporation solution growth technique. The compound was characterized by FT-IR and NMR studies. The crystal has been subjected to single-crystal x-ray diffraction studies and cell parameters of the crystal were determined. The...