Benzo[c]thiophene Chromophores Linked to Cationic Fe and Ru Derivatives for NLO...

• Autor(es): Mendes, Paulo J. ; Ramalho, J.P. prates ; Carvalho, A. J. Palace
• Data: 2013
• Identificador Persistente: http://hdl.handle.net/10174/8561
• Origem: Repositório Científico da Universidade de Évora
• Assunto(s): Ruthenium and Iron; Sulfur ­heterocycles; Nonlinear optics; Hyper­polarizabilities
• Tipo de Documento: Artigo
• Idioma: Inglês

Descrição

η5-Monocyclopentadienyliron(II)/ruthenium(II) complexes of the general formula [M(η5-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 (β) 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.