Styryl-based NLO chromophores: synthesis, spectroscopic properties, and theoretical calculations

Ergin Yalçin , Sylvain Achelle (1) , Yasmina Bayrak , Nurgül Seferoğlu , Alberto Barsella (2) , Zeynel Seferoğlu

1 ISCR - Institut des Sciences Chimiques de Rennes
2 IPCMS - Institut de Physique et Chimie des Matériaux de Strasbourg

A novel series of styryl-based chromophores is synthesized, the constituents of which are characterized by UV–Vis, NMR, mass spectrometry, and thermal analysis. The chromophores show good solubility in MeOH, THF, and CH2Cl2. They also show good thermal stability for practical applications. Density functional theory calculations are employed in order to ascertain the structural, molecular, and electronic properties of the dyes. Moreover, the second order nonlinear optical (NLO) responses of the dyes are measured by the electric field induced second harmonic (EFISH) generation method. Relatively high scalar products of the vector component of the first hyperpolarizability tensor and the dipole moment vector (μβ) are obtained for some of the compounds.

Keywords: Non-linear optic (NLO) Push–pull Intramolecular charge transfer Styryl dyes DFT calculations

Domains: Chemical Sciences

Ergin Yalçin, Sylvain Achelle, Yasmina Bayrak, Nurgül Seferoğlu, Alberto Barsella, et al.. Styryl-based NLO chromophores: synthesis, spectroscopic properties, and theoretical calculations. Tetrahedron Letters, 2017, 56 (20), pp.2586 - 2589. ⟨10.1016/j.tetlet.2015.03.133⟩. ⟨hal-01559299⟩