title: Donor-(π-bridge)-azinium as D-π-A+ one-dimensional and D-π-A(+)-π-D multidimensional V-shaped chromophores.
abstract: 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)).
authors.affiliation: Departamento de Química Orgánica, Universidad de Alcalá, 28871 Alcalá de Henares, Madrid, Spain.
authors.forename: Marco Antonio
authors.initials: MA
authors.lastname: Ramírez
authors.forename: Ana M
authors.initials: AM
authors.lastname: Cuadro
authors.forename: Julio
authors.initials: J
authors.lastname: Alvarez-Builla
authors.forename: Obis
authors.initials: O
authors.lastname: Castaño
authors.forename: Jose L
authors.initials: JL
authors.lastname: Andrés
authors.forename: Francisco
authors.initials: F
authors.lastname: Mendicuti
authors.forename: Koen
authors.initials: K
authors.lastname: Clays
authors.forename: Inge
authors.initials: I
authors.lastname: Asselberghs
authors.forename: Juan J
authors.initials: JJ
authors.lastname: Vaquero