Benzo[c]thiophene chromophores linked to cationic Fe and Ru derivatives for NLO materials: synthesis characterization and quadratic hyperpolarizabilities

Silva, Tiago J. L.; Mendes, Paulo J.; Garcia, M. Helena; Robalo, Maria Paula; Ramalho, J. P. Prates; Carvalho, A. J. Palace; Buechert, Marina; Wittenburg, Christian; Heck, Juergen

http://hdl.handle.net/10400.21/3838

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Authors

Ramalho, J. P. Prates

Carvalho, A. J. Palace

Buechert, Marina

Wittenburg, Christian

Heck, Juergen

Abstract(s)

5-Monocyclopentadienyliron(II)/ruthenium(II) complexes of the general formula [M(5-C5H5)(PP)(L1)][PF6] {M = Fe, PP = dppe; M = Ru, PP = dppe or 2PPh3; L1 = 5-[3-(thiophen-2-yl)benzo[c]thiophenyl]thiophene-2-carbonitrile} have been synthesized and studied to evaluate their molecular quadratic hyperpolarizabilities. The compounds were fully characterized by NMR, FTIR and UV/Vis spectroscopy and their electrochemical behaviour studied by cyclic voltammetry. Quadratic hyperpolarizabilities () were determined by hyper-Rayleigh scattering measurements at a fundamental wavelength of 1500 nm. Density functional theory calculations were employed to rationalize the second-order non-linear optical properties of these complexes.

Keywords

Ruthenium Iron Sulfur heterocycles Nonlinear Optics Hyperpolarizabilities

URI

http://hdl.handle.net/10400.21/3838

Citation

SILVA, Tiago J. L.; [et al] - Benzo[c]thiophene Chromophores Linked to Cationic Fe and Ru Derivatives for NLO Materials: Synthesis Characterization and Quadratic Hyperpolarizabilities. European Journal of Inorganic Chemistry. Vol. 2013, nr. 20 (2013), p. 3506-3517.