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]−
Autor: | Rita Mazzoni, Iacopo Ciabatti, Cristiana Cesari, Cristina Femoni, Mohammad Hayatifar, Marco Bortoluzzi, Maria Carmela Iapalucci, Stefano Zacchini |
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Přispěvatelé: | Bortoluzzi, Marco, Cesari, Cristiana, Ciabatti, Iacopo, Femoni, Cristina, Hayatifar, Mohammad, Iapalucci, Maria Carmela, Mazzoni, Rita, Zacchini, Stefano |
Rok vydání: | 2016 |
Předmět: |
STRUCTURE VALIDATION
Iron Inorganic chemistry Nanochemistry 010402 general chemistry 01 natural sciences Biochemistry DUAL GOLD CATALYSIS Catalysis chemistry.chemical_compound N-HETEROCYCLIC-CARBENE CHEMISTRY Carbonyl Heterometallic clusters Carbonyl Gold Iron N-Heterocyclic carbene N-HETEROCYCLIC-CARBENE CATALYTIC GLYCEROL DEHYDROGENATION TRANSITION-METAL-COMPLEXES DUAL GOLD CATALYSIS NHC LIGANDS ORGANOMETALLIC CATALYSIS AUROPHILIC INTERACTIONS STRUCTURE VALIDATION NANOPARTICLES CHEMISTRY AUROPHILIC INTERACTIONS N-Heterocyclic carbene NANOPARTICLES Cluster (physics) General Materials Science Heterometallic clusters Bimetallic strip Settore CHIM/03 - Chimica Generale e Inorganica Heterometallic cluster 010405 organic chemistry ORGANOMETALLIC CATALYSIS General Chemistry NHC LIGANDS Carbon-13 NMR Condensed Matter Physics TRANSITION-METAL-COMPLEXES 0104 chemical sciences IMes Crystallography chemistry Reagent CATALYTIC GLYCEROL DEHYDROGENATION Gold Single crystal |
Zdroj: | Journal of Cluster Science. 28:703-723 |
ISSN: | 1572-8862 1040-7278 |
DOI: | 10.1007/s10876-016-1073-0 |
Popis: | 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(C6H 3 i Pr2)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. |
Databáze: | OpenAIRE |
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