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A thorough characterisation of their BPh<jats:sub>4<\/jats:sub><jats:sup>\u2212<\/jats:sup> salts includes two single\u2010crystal X\u2010ray structures, highly unusual for such species with multiple, extended substituents. Intense, visible d(Fe<jats:sup>II<\/jats:sup>)\u2192\u03c0* metal\u2010to\u2010ligand charge\u2010transfer (MLCT) bands accompany the \u03c0\u2192\u03c0* intraligand charge\u2010transfer absorptions in the near UV region. Each complex shows a single, fully reversible Fe<jats:sup>III\/II<\/jats:sup> wave when probed electrochemically. Molecular quadratic nonlinear optical (NLO) responses are determined by using hyper\u2010Rayleigh scattering and Stark spectroscopy. The latter gives static first hyperpolarisabilities <jats:italic>\u03b2<\/jats:italic><jats:sub>0<\/jats:sub> reaching as high as approximately 10<jats:sup>\u221227<\/jats:sup>\u2005esu and generally increasing with \u03c0\u2010conjugation extension. Z\u2010scan cubic NLO measurements reveal high two\u2010photon absorption cross\u2010sections <jats:italic>\u03c3<\/jats:italic><jats:sub>2<\/jats:sub> of up to 5400\u2005GM in one case. DFT calculations reproduce the \u03c0\u2010conjugation dependence of <jats:italic>\u03b2<\/jats:italic><jats:sub>0<\/jats:sub>, and TD\u2010DFT predicts three transitions close in energy contributing to the MLCT bands. 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Foresman J.\u2005V. Ortiz J. Cioslowski D.\u2005J. Fox Gaussian Inc. Wallingford CT 2009."},{"key":"e_1_2_6_170_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.464913"},{"key":"e_1_2_6_170_3","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.33.8822"},{"key":"e_1_2_6_171_2","first-page":"1","volume-title":"Modern Theoretical Chemistry, Vol.\u20053","author":"Dunning T. H.","year":"1976"},{"key":"e_1_2_6_172_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.448799"},{"key":"e_1_2_6_173_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.448800"},{"key":"e_1_2_6_174_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.448975"},{"key":"e_1_2_6_175_2","unstructured":"U. 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