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
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