title: Synthesis, structure, and optical properties of 1,4-dithiafulvene-based nonlinear optic-phores.
abstract: Polyenic nonlinear optic (NLO)-phores with a proaromatic 1,4-dithiafulvene electron donor and the little explored 1,1,3-tricyano-2-phenylpropene acceptor have been synthesized. Their configurational and conformational features, ground state polarization, and linear and nonlinear optical properties have been determined experimentally and theoretically, and the results are compared to those of tetrathiafulvalene-related derivatives. The newly prepared compounds show close to optimal bond length alternation values for maximizing the first molecular hyperpolarizability, and one of them displays the highest mu beta0 value ever reported for a dithiafulvene-based NLO-phore. The first example of a dithiafulvenylmethylene transfer reaction is also reported.
authors.affiliation: Departamento de Química OrgAnica, ICMA, Universidad de Zaragoza-CSIC, 50009 Zaragoza, Spain.
authors.forename: Silvia
authors.initials: S
authors.lastname: Alías
authors.forename: Raquel
authors.initials: R
authors.lastname: Andreu
authors.forename: María Jesús
authors.initials: MJ
authors.lastname: Blesa
authors.forename: Santiago
authors.initials: S
authors.lastname: Franco
authors.forename: Javier
authors.initials: J
authors.lastname: Garín
authors.forename: Aurora
authors.initials: A
authors.lastname: Gragera
authors.forename: Jesús
authors.initials: J
authors.lastname: Orduna
authors.forename: Pilar
authors.initials: P
authors.lastname: Romero
authors.forename: Belén
authors.initials: B
authors.lastname: Villacampa
authors.forename: Magali
authors.initials: M
authors.lastname: Allain