Publicaciones > Ramírez et al

Org. Biomol. Chem. 2012; 10(8):1659 -1669. doi: 10.1039/c2ob06427h

Donor-(π-bridge)-azinium as D-π-A + one-dimensional and D-π-A +-π-D multidimensional V-shaped chromophores.

M.A. Ramírez^1, 2, 3, A.M. Cuadro, J. Alvarez-Builla, O. Castaño, J.L. Andrés, F. Mendicuti, K. Clays, I. Asselberghs, J.J. Vaquero

1. Departamento de Química Orgánica, Universidad de Alcalá, 28871, Alcalá de Henares Madrid, Spain.  2. Departamento de Química Física, Universidad de Alcalá, 28871, Alcalá de Henares Madrid, Spain.  3. Department of Chemistry, University of Leuven, Celestijnenlaan 200, D 3001, Leuven, Belgium.

Resumen

Heteroaromatic cations reacted with N-heteroarylacetylenes under Sonogashira conditions to allow easy access to potential single donor D-π-A + and V-shaped D-π-A +-π-D chromophores, where the acceptor moiety A is the π-deficient pyridinium cation and the donor moiety is represented by different π-excessive N-heterocycles. The β 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)). © 2012 The Royal Society of Chemistry.