Nonlinear optical and related properties of iron(II) pentacyanide complexes with quaternary nitrogen electron acceptor units

Benjamin J. Coe, Simon P. Foxon, Elizabeth C. Harper, James Raftery, Rachel Shaw, Catherine A. Swanson, Inge Asselberghs, Koen Clays, Bruce S. Brunschwig, Anthony G. Fitch

    Research output: Contribution to journalArticlepeer-review

    Abstract

    Three new complex salts Na 2[Fe II(CN) 5(L)] [L = N-methyl-4-{E,E-4-(4-pyridyl)buta-1,3-dienyl}pyridinium, N-methyl-4-{E,E,E-6-(4-pyridyl)hexa-1,3,5-trienyl}pyridinium, or N-methyl-1,4-bis-{E-2-(4-pyridyl)ethenyl}] benzene have been prepared. These compounds have been characterized by using various techniques including electronic absorption spectroscopy and cyclic voltammetry, allowing their properties to be compared with those of the known complexes where L = N-methylpyrazinium (Mepyz +), N-methyl-4,4′-bipyridinium, or N-methyl-4-[E-2-(4-pyridyl)ethenyl]pyridinium. Molecular quadratic nonlinear optical (NLO) responses have been determined by using hyper-Rayleigh scattering (HRS) at 1064 nm, and also via Stark (electroabsorption) spectroscopic studies on the intense, visible d → π* metal-to-ligand charge-transfer (MLCT) bands. The MLCT transitions show large red-shifts on moving from aqueous to methanol solutions, and these excitations are associated with relatively large static first hyperpolarizabilities β 0-Single crystal X-ray structures of two hydrated materials containing the complex anion [Fe II(CN) 5(Mepyz +)] 2- have been determined, and both of these show some degree of alignment of the constituent complex dipoles. © 2009 American Chemical Society.
    Original languageEnglish
    Pages (from-to)1370-1379
    Number of pages9
    JournalInorganic Chemistry: including bioinorganic chemistry
    Volume48
    Issue number4
    DOIs
    Publication statusPublished - 16 Feb 2009

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