The 1H and 13C nuclear magnetic resonance and IR adsorption spectra of substituted polymethylferrocenes

Synthesis and structure of mono- and dinuclear cyclopentadienyl–indenyl complexes of iron(II) and further reactions to mixed tri- and tetranuclear iron–cobalt complexes

“…The location of the 1 H and 13 C signals of the {(g 5 -C 5 H 5 )Fe} and {(g 5 -C 5 Me 5 )Fe} fragments in the NMR spectra of all complexes presented here are in good agreement with the respective values reported for ferrocene [26,27] and decamethylferrocene [28].…”

A Ferrocene‐Based Dicationic Iron(IV) Carbonyl Complex

“…While backbonding into the dorbitals is also in agreement with the observed C-O vibrational stretch at 2042 cm À1 (AsF 6 À salt) and 2034 cm À1 (SbF 6 À salt) in the IR spectra, this observation poses the question of how af ormally high-valent, electronpoor ion is able to engage in Fe to CO p-backbonding?A n explanation is given by calculations.A pplying the TPSSh functional and the def2-TZVPP basis set, correctly predicts the observed stretching frequencies of the IR spectrum (ñ calc ¼2020 cm À1 ). [14] Another signal at 215.4 ppm, with considerably less intensity,w as assigned to the terminally bound carbonyl Ca tom. [12] Accordingly,t he experimentally found C-O stretching frequencyof[Cp* 2 Fe(CO)] 2+ is more akin to the corresponding values of the well-established [Fe(CO) 5 ] (2014 and 2034 cm À1 )t han to those of [Fe(CO) 6 ] 2+ (2204 cm À1 ) [4b] or [Fe(CO) 4 ] 2À (1730 cm À1 ).…”

Ein Ferrocen‐basierter dikationischer FeIV‐Carbonylkomplex

“…DFT-Rechnungen (TPSSh/ def2-TZVPP) bestätigen die experimentell erhaltenen Werte (ñ calc ¼2020 cm À1 ). [14] Ein kleines intensitätsschwaches Signal bei 215.4 ppm kann dem terminalen Carbonylliganden zugeordnet werden. [12] Tatsächlich ähnelt der Wert für 4 ] 2À (1730 cm À1 ).…”

“…[13] NMR-Spektren der AsF Vergleich zu Cp* 2 Fe mit Werten von 9.5 ppm (C CH 3 )u nd 79.0 ppm (C Cp ring )s ind deutliche Unterschiede erkennbar. [14] Ein kleines intensitätsschwaches Signal bei 215.4 ppm kann dem terminalen Carbonylliganden zugeordnet werden. [15] Interessanterweise ist die chemische Verschiebung dieses Signals relativ ähnlich zum Wert von [Fe(CO) 5 ]bei 213 ppm, [16] oder anderen Eisencarbonylkomplexen.…”