{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,14]],"date-time":"2025-10-14T01:11:22Z","timestamp":1760404282137,"version":"build-2065373602"},"reference-count":50,"publisher":"Wiley","issue":"11","license":[{"start":{"date-parts":[[2006,4,11]],"date-time":"2006-04-11T00:00:00Z","timestamp":1144713600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Eur J Inorg Chem"],"published-print":{"date-parts":[[2006,6]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>A series of ionic pseudo\u2010octahedral <jats:italic>trans<\/jats:italic>\u2010hydrido(nitrile)iron(<jats:sc>II<\/jats:sc>) complexes with the general formula [Fe(H)(dppe)<jats:sub>2<\/jats:sub>(4\u2010NCR)][PF<jats:sub>6<\/jats:sub>] [dppe = 1,2\u2010bis(diphenylphosphanyl)ethane; R = acceptor\u2010substituted conjugated ligand] have been synthesised by chloride abstraction from the starting compound <jats:italic>trans<\/jats:italic>\u2010[FeHCl(dppe)<jats:sub>2<\/jats:sub>] and fully characterised. First hyperpolarisabilities (<jats:italic>\u03b2<\/jats:italic>) have been determined by hyper\u2010Rayleigh scattering (HRS) at the fundamental wavelength of 1072 nm and the high near\u2010resonant values obtained (up to 1130\u2009\u00d7\u200910<jats:sup>\u201330<\/jats:sup> esu) are interpreted in terms of the two\u2010level model (TLM) and are correlated with IR and NMR spectroscopic data. Wavelength\u2010dependent HRS has been performed in the 1072\u20131580 nm range for two of the compounds, namely [Fe(H)(dppe)<jats:sub>2<\/jats:sub>{4\u2010NC(CH)(CH)C<jats:sub>6<\/jats:sub>H<jats:sub>4<\/jats:sub>NO<jats:sub>2<\/jats:sub>}][PF<jats:sub>6<\/jats:sub>] and [Fe(H)(dppe)<jats:sub>2<\/jats:sub>{4\u2010NCC<jats:sub>6<\/jats:sub>H<jats:sub>4<\/jats:sub>(CH)(CH)C<jats:sub>6<\/jats:sub>H<jats:sub>4<\/jats:sub>NO<jats:sub>2<\/jats:sub>}][PF<jats:sub>6<\/jats:sub>]. These results clearly show the two\u2010photon resonance but also the shortcomings of the TLM when it comes to deriving reliable static <jats:italic>\u03b2<\/jats:italic> values. A structural study of the compound [Fe(H)(dppe)<jats:sub>2<\/jats:sub>(4\u2010NCC<jats:sub>6<\/jats:sub>H<jats:sub>4<\/jats:sub>NO<jats:sub>2<\/jats:sub>)][PF<jats:sub>6<\/jats:sub>] by X\u2010ray diffraction shows that it crystallises in the centrosymmetric monoclinic space group<jats:italic>P<\/jats:italic>2<jats:sub>1<\/jats:sub>\/<jats:italic>n<\/jats:italic>, with four molecules in the unit cell and a pairwise antiparallel alignment of the dipoles. (\u00a9 Wiley\u2010VCH Verlag GmbH &amp; Co. KGaA, 69451 Weinheim, Germany, 2006)<\/jats:p>","DOI":"10.1002\/ejic.200501050","type":"journal-article","created":{"date-parts":[[2006,4,11]],"date-time":"2006-04-11T14:03:45Z","timestamp":1144764225000},"page":"2175-2185","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":16,"title":["Synthesis, Characterisation and Molecular Hyperpolarisabilities of Pseudo\u2010Octahedral Hydrido(nitrile)iron(<scp>II<\/scp>) Complexes for Nonlinear Optics: X\u2010ray Structure of [Fe(H)(dppe)<sub>2<\/sub>(4\u2010NCC<sub>6<\/sub>H<sub>4<\/sub>NO<sub>2<\/sub>)][PF<sub>6<\/sub>]\u00b7CH<sub>2<\/sub>Cl<sub>2<\/sub>"],"prefix":"10.1002","volume":"2006","author":[{"given":"Maria Paula","family":"Robalo","sequence":"first","affiliation":[]},{"given":"Ant\u00f3nio P. S.","family":"Teixeira","sequence":"additional","affiliation":[]},{"given":"Maria Helena","family":"Garcia","sequence":"additional","affiliation":[]},{"given":"M. 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