Author:

Keywords:

nonlinear-optical properties, frequency-dependent hyperpolarizabilities, 2nd-order polarizability tensor, organic electrooptic materials, aggregation-induced emission, hyper-rayleigh scattering, ring-closing metathesis, 2nd-harmonic generation, sonogashira reaction, acceptor groups, Science & Technology, Physical Sciences, Chemistry, Organic, Chemistry, NONLINEAR-OPTICAL PROPERTIES, FREQUENCY-DEPENDENT HYPERPOLARIZABILITIES, AGGREGATION-INDUCED EMISSION, HYPER-RAYLEIGH SCATTERING, 2ND-ORDER POLARIZABILITY, ELECTRON-ACCEPTOR, 2ND-HARMONIC GENERATION, SONOGASHIRA REACTION, THERMAL-STABILITY, ORGANIC MATERIALS, 0304 Medicinal and Biomolecular Chemistry, 0305 Organic Chemistry, Organic Chemistry, 3404 Medicinal and biomolecular chemistry, 3405 Organic chemistry

Abstract:

Heteroaromatic cations reacted with N-heteroarylacetylenes under Sonogashira conditions to allow easy access to potential single donor D-pi-A(+) and V-shaped D-pi-A(+)-pi-D chromophores, where the acceptor moiety A is the pi-deficient pyridinium cation and the donor moiety is represented by different p-excessive N-heterocycles. The beta hyperpolarizabilities were measured using hyper-Rayleigh scattering experiments and the experimental data are supported by a theoretical analysis that combines a variety of computational procedures, including Density Functional Theory (DFT) and correlated Hartree-Fock-based methods (RCIS(D)).