Helquat Dyes: Helicene-like Push–Pull Systems with Large Second-Order Nonlinear Optical Responses
| Autor: | Griet Depotter, Jan Vávra, David Šaman, Dushant Khobragade, Daniela Rusanova, Benjamin J. Coe, Bruce S. Brunschwig, Filip Teplý, Sergio Sánchez, Vishwas D. Joshi, Koen Clays, Lukáš Severa, Ivana Císařová, Radek Pohl |
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| Jazyk: | angličtina |
| Rok vydání: | 2016 |
| Předmět: |
010405 organic chemistry
Chemistry Scattering Organic Chemistry Cationic polymerization Order (ring theory) Chromophore 010402 general chemistry 01 natural sciences 0104 chemical sciences Characterization (materials science) chemistry.chemical_compound Helicene Computational chemistry Chemical physics Molecule Density functional theory |
| Popis: | Helquat dyes combine a cationic hemicyanine with a helicene-like motif to form a new blueprint for chiral systems with large and tunable nonlinear optical (NLO) properties. We report a series of such species with characterization, including determination of static first hyperpolarizabilities β0 via hyper-Rayleigh scattering and Stark spectroscopy. The measured β0 values are similar to or substantially larger than that of the commercial chromophore E-4'-(dimethylamino)-N-methyl-4-stilbazolium. Density functional theory (DFT) and time-dependent DFT calculations on two of the new cations are used to probe their molecular electronic structures and optical properties. Related molecules are expected to show bulk second-order NLO effects in even nonpolar media, overcoming a key challenge in developing useful materials. ispartof: Journal of Organic Chemistry vol:81 issue:5 pages:1912-1920 ispartof: location:United States status: published |
| Databáze: | OpenAIRE |
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