BIOMAT Database Logo BIOMAT Database Logo

Ion pairing in cationic olefin-gold(I) complexes. 2009

Daniele Zuccaccia, and Leonardo Belpassi, and Francesco Tarantelli, and Alceo Macchioni
Dipartimento di Chimica, Università degli Studi di Perugia, Via Elce di Sotto, 8, 06123 Perugia, Italy.

The relative anion-cation orientation in [(PPh(3))Au(4-Me-styrene)]BF(4) (1BF(4)) and [(NHC)Au(4-Me-styrene)]BF(4) [2BF(4); NHC = 1,3-bis(di-iso-propylphenyl)-imidazol-2-ylidene] has been investigated by combining (19)F,(1)H-HOESY NMR spectroscopy and Density Functional Theory (DFT) calculations incorporating solvent and relativistic effects. It has been found that BF(4)(-) locates on the side of 4-Me-styrene, close to the olefin region that is opposite to the 4-Me-Ph moiety in 1BF(4). In 2BF(4), the counterion approaches the cation from the side of the NHC ligand and is mainly located close to the imidazole ring. In both cases, the counterion resides far away from the gold site, the latter carrying only a small fraction of the positive charge. This indicates that the preferential position of the counterion is tunable through the choice of the ancillary ligand, and this opens the way to greater control over the properties and activity of these catalysts.

UI MeSH Term Description Entries
D007477 Ions An atom or group of atoms that have a positive or negative electric charge due to a gain (negative charge) or loss (positive charge) of one or more electrons. Atoms with a positive charge are known as CATIONS; those with a negative charge are ANIONS.
D008956 Models, Chemical Theoretical representations that simulate the behavior or activity of chemical processes or phenomena; includes the use of mathematical equations, computers, and other electronic equipment. Chemical Models,Chemical Model,Model, Chemical
D008958 Models, Molecular Models used experimentally or theoretically to study molecular shape, electronic properties, or interactions; includes analogous molecules, computer-generated graphics, and mechanical structures. Molecular Models,Model, Molecular,Molecular Model
D009682 Magnetic Resonance Spectroscopy Spectroscopic method of measuring the magnetic moment of elementary particles such as atomic nuclei, protons or electrons. It is employed in clinical applications such as NMR Tomography (MAGNETIC RESONANCE IMAGING). In Vivo NMR Spectroscopy,MR Spectroscopy,Magnetic Resonance,NMR Spectroscopy,NMR Spectroscopy, In Vivo,Nuclear Magnetic Resonance,Spectroscopy, Magnetic Resonance,Spectroscopy, NMR,Spectroscopy, Nuclear Magnetic Resonance,Magnetic Resonance Spectroscopies,Magnetic Resonance, Nuclear,NMR Spectroscopies,Resonance Spectroscopy, Magnetic,Resonance, Magnetic,Resonance, Nuclear Magnetic,Spectroscopies, NMR,Spectroscopy, MR
D003198 Computer Simulation Computer-based representation of physical systems and phenomena such as chemical processes. Computational Modeling,Computational Modelling,Computer Models,In silico Modeling,In silico Models,In silico Simulation,Models, Computer,Computerized Models,Computer Model,Computer Simulations,Computerized Model,In silico Model,Model, Computer,Model, Computerized,Model, In silico,Modeling, Computational,Modeling, In silico,Modelling, Computational,Simulation, Computer,Simulation, In silico,Simulations, Computer
D006046 Gold A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts.
D000475 Alkenes Unsaturated hydrocarbons of the type Cn-H2n, indicated by the suffix -ene. (Grant & Hackh's Chemical Dictionary, 5th ed, p408) Alkene,Olefin,Olefins,Pentene,Pentenes
D050607 Organogold Compounds Organic compounds that contain GOLD as an integral part of the molecule. Some are used as ANTIRHEUMATIC AGENTS. The term chrysotherapy derives from an ancient Greek term for gold. Compounds, Organogold

Related Publications

Daniele Zuccaccia, and Leonardo Belpassi, and Francesco Tarantelli, and Alceo Macchioni
Gold(III) olefin complexes.
January 2013, Angewandte Chemie (International ed. in English),
Daniele Zuccaccia, and Leonardo Belpassi, and Francesco Tarantelli, and Alceo Macchioni
Tethered cationic alkaline earth - olefin complexes.
November 2017, Dalton transactions (Cambridge, England : 2003),
Daniele Zuccaccia, and Leonardo Belpassi, and Francesco Tarantelli, and Alceo Macchioni
Vanadyl cationic complexes as catalysts in olefin oxidation.
March 2015, Dalton transactions (Cambridge, England : 2003),
Daniele Zuccaccia, and Leonardo Belpassi, and Francesco Tarantelli, and Alceo Macchioni
Cationic Gold(I) Diarylallenylidene Complexes: Bonding Features and Ligand Effects.
July 2019, Chemphyschem : a European journal of chemical physics and physical chemistry,
Daniele Zuccaccia, and Leonardo Belpassi, and Francesco Tarantelli, and Alceo Macchioni
Cationic Bis(Gold) Indenyl Complexes.
January 2024, ChemPlusChem,
Daniele Zuccaccia, and Leonardo Belpassi, and Francesco Tarantelli, and Alceo Macchioni
Gold(I)-catalyzed stereoselective olefin cyclopropanation.
December 2005, Journal of the American Chemical Society,
Daniele Zuccaccia, and Leonardo Belpassi, and Francesco Tarantelli, and Alceo Macchioni
Cationic eta(1)/eta(2)-gold(I) complexes of simple arenes.
August 2006, Angewandte Chemie (International ed. in English),
Daniele Zuccaccia, and Leonardo Belpassi, and Francesco Tarantelli, and Alceo Macchioni
Anti-trypanosomal activity of cationic N-heterocyclic carbene gold(I) complexes.
June 2017, Molecular and biochemical parasitology,
Daniele Zuccaccia, and Leonardo Belpassi, and Francesco Tarantelli, and Alceo Macchioni
Synthesis and structural characterisation of stable cationic gold(I) alkene complexes.
July 2009, Chemical communications (Cambridge, England),
Daniele Zuccaccia, and Leonardo Belpassi, and Francesco Tarantelli, and Alceo Macchioni
Cationic, two-coordinate gold π complexes.
November 2013, Angewandte Chemie (International ed. in English),
Copied contents to your clipboard!