68866-85-3Relevant academic research and scientific papers
Visible-light photolysis of [FeCp(η6-toluene)][PF6] as a clean, convenient and general route to iron-vinylidene and iron-acetylide complexes
Ornelas, Cátia,Ruiz, Jaime,Astruc, Didier
, p. 1219 - 1222 (2009)
Visible-light photolysis of the cheap starting material [FeCp(η6-toluene)][PF6] (Cp{double bond, long}η5-C5H5) using a simple 100-W globe in the presence of diphenyldiphosphinoethane (dppe) and termin
Iron versus Ruthenium: Clarifying the Electronic Differences between Prototypical Mixed-Valence Organometallic Butadiyndiyl Bridged Molecular Wires
Gückel, Simon,Gluyas, Josef B. G.,El-Tarhuni, Sarah,Sobolev, Alexandre N.,Whiteley, Mark W.,Halet, Jean-Fran?ois,Lapinte, Claude,Kaupp, Martin,Low, Paul J.
, p. 1432 - 1445 (2018)
The electronic structures of the prototypical bimetallic buta-1,3-diyn-1,4-diyl-bridged radical cation complexes [{M(dppe)Cp′}2(μ-C≡CC≡C)]+ (M= Fe, Cp′ = Cp? (1a), Cp (1b); M = Ru, Cp′ = Cp? (2a), Cp (2b)) have been (re)investigated using a combination of UV-vis-NIR and IR spectroelectrochemistry, and quantum chemical calculations based on both dispersion-corrected global (BLYP35-D3) and local (Lh-SsirPW92-D3) hybrid functionals. Following analysis of new and existing data, including the IR-active ν(C≡C) bands, the iron compounds [1]+ are reclassified as valence-trapped (Robin and Day Class II) mixed-valence complexes, in contrast to the ruthenium complexes [2]+, which are delocalized (Robin and Day Class III) systems. All members of the series exist as a thermally populated distribution of conformers in solution, and the overlapping spectroscopic profiles make the accurate extraction of the parameters necessary for the analysis of [1]+ and [2]+ within the framework of the Marcus-Hush model extremely challenging. Analysis of the spin-density distributions from a range of conformational minima provides an alternative representation of the degree of charge localization, and a comparison between members of the series is presented.
Visible-light generation of the naked 12-electron fragment C 5H5Fe+: Alkyne-to-vinylidene isomerization and synthesis of polynuclear iron vinylidene and alkynyl complexes including hexairon stars
Wang, Yanlan,Diallo, Abdou K.,Ornelas, Catia,Ruiz, Jaime,Astruc, Didier
, p. 119 - 127 (2012/03/07)
Visible-light photolysis of [FeCp(η6-C6H 5CH3)][PF6] using a simple 100-W bulb or a compact fluorescent light bulb in the presence of terminal alkynes and dppe yielded the vinylidene complexes [FeCp(=C=CHR)(dppe)][PF6] that were deprotonated by t-BuOK to yield the alkynyl complexes [FeCp(-C≡CR)(dppe)]. The reaction has been extended to the synthesis of bis-, tris, tetra-, and hexanuclear iron complexes including three alkynes of the ferrocenyl family.
