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Benzo[ c ]thiophene Chromophores Linked to Cationic Fe and Ru Derivatives for NLO Materials: Synthesis Characterization and Quadratic Hyperpolarizabilities
Author(s) -
Silva Tiago J. L.,
Mendes Paulo J.,
Garcia M. Helena,
Robalo M. Paula,
Prates Ramalho J. P.,
Palace Carvalho A. J.,
Büchert Marina,
Wittenburg Christian,
Heck Jürgen
Publication year - 2013
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201300048
Subject(s) - chemistry , thiophene , cyclic voltammetry , ruthenium , cationic polymerization , chromophore , density functional theory , electrochemistry , spectroscopy , photochemistry , computational chemistry , polymer chemistry , organic chemistry , electrode , physics , quantum mechanics , catalysis
η 5 ‐Monocyclopentadienyliron(II)/ruthenium(II) complexes of the general formula [M(η 5 ‐C 5 H 5 )(PP)(L 1 )][PF 6 ] {M = Fe, PP = dppe; M = Ru, PP = dppe or 2PPh 3 ; L 1 = 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.