The reaction of the Collman’s reagent Na2Fe(CO)4 with two equivalents of Au(NHC)Cl (NHC = IMes, IPr, IBu) in thf results in the bimetallic Fe(CO)4(AuNHC)2 (NHC = IMes, 2; IPr, 3; IBu, 4; IMes = C3N2H2(C6H2Me3)2; IPr = C3N2H2(C6H3iPr2)2; IBu = C3N2H2(CMe3)2) clusters in good yields. Heating 2 in dmf at 100 °C results in the higher nuclearity cluster [Au3Fe2(CO)8(IMes)2]− (5). 2–5 have been fully characterized via IR, 1H and 13C NMR spectroscopies and their structures determined by means of single crystal X-ray crystallography. Gas-phase DFT calculations were carried out on 2–5 and the model compound cis-Fe(CO)4(AuIDM)2 (6) (IDM = C3N2H2Me2), in order to better understand the metal–metal and metal–ligand interactions in these compounds without the influence of packing forces.
Bortoluzzi, M., Cesari, C., Ciabatti, I., Femoni, C., Hayatifar, M., Iapalucci, M.C., et al. (2017). Bimetallic Fe–Au Carbonyl Clusters Derived from Collman’s Reagent: Synthesis, Structure and DFT Analysis of Fe(CO)4(AuNHC)2 and [Au3Fe2(CO)8(NHC)2]−. JOURNAL OF CLUSTER SCIENCE, 28(2), 703-723 [10.1007/s10876-016-1073-0].
Bimetallic Fe–Au Carbonyl Clusters Derived from Collman’s Reagent: Synthesis, Structure and DFT Analysis of Fe(CO)4(AuNHC)2 and [Au3Fe2(CO)8(NHC)2]−
CESARI, CRISTIANA;CIABATTI, IACOPO;FEMONI, CRISTINA;HAYATIFAR, MOHAMMAD;IAPALUCCI, MARIA CARMELA;MAZZONI, RITA;ZACCHINI, STEFANO
2017
Abstract
The reaction of the Collman’s reagent Na2Fe(CO)4 with two equivalents of Au(NHC)Cl (NHC = IMes, IPr, IBu) in thf results in the bimetallic Fe(CO)4(AuNHC)2 (NHC = IMes, 2; IPr, 3; IBu, 4; IMes = C3N2H2(C6H2Me3)2; IPr = C3N2H2(C6H3iPr2)2; IBu = C3N2H2(CMe3)2) clusters in good yields. Heating 2 in dmf at 100 °C results in the higher nuclearity cluster [Au3Fe2(CO)8(IMes)2]− (5). 2–5 have been fully characterized via IR, 1H and 13C NMR spectroscopies and their structures determined by means of single crystal X-ray crystallography. Gas-phase DFT calculations were carried out on 2–5 and the model compound cis-Fe(CO)4(AuIDM)2 (6) (IDM = C3N2H2Me2), in order to better understand the metal–metal and metal–ligand interactions in these compounds without the influence of packing forces.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
