Synthesis of charged bis-heteroaryl donor-acceptor (D-A+) NLO-phores coupling (π-deficient-π-excessive) heteroaromatic rings

Autor: Ana M. Cuadro, Obis Castaño, Inge Asselberghs, Juan J. Vaquero, Marco Antonio Ramirez, Koen Clays, Jose L. Andres, Julio Alvarez-Builla, Francisco Mendicuti, Raul Custodio
Rok vydání: 2013
Předmět:
Zdroj: Organicbiomolecular chemistry. 11(41)
ISSN: 1477-0539
Popis: Charged chromophores based on heteroaromatic cations were prepared by reaction of alkylazinium salts with N-heteroarylstannanes under Stille conditions. This approach provides easy access to potential single donor D-A(+) chromophores in which the acceptor moiety A(+) is the pyridinium cation and the donors are different π-excessive N-heterocycles. The β hyperpolarizabilities were measured in 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 and correlated Hartree-Fock-based methods. In some chromophores, the absence of a bridge between donor and acceptor fragments increases the NLO properties.
Databáze: OpenAIRE