Cargando…

How reduced are nucleophilic gold complexes?

Nucleophilic formal gold(-i) and gold(i) complexes are investigated via Intrinsic Bond Orbital analysis and Energy Decomposition Analysis, based on density functional theory calculations. The results indicate gold(0) centres engaging in electron-sharing bonding with Al- and B- based ligands. Multico...

Descripción completa

Detalles Bibliográficos
Autores principales:	Leach, Isaac F., Sorbelli, Diego, Belpassi, Leonardo, Belanzoni, Paola, Havenith, Remco W. A., Klein, Johannes E. M. N.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9764324/ https://www.ncbi.nlm.nih.gov/pubmed/35877065 http://dx.doi.org/10.1039/d2dt01694j

Ejemplares similares

Reactivity of a Gold-Aluminyl Complex with Carbon Dioxide: A Nucleophilic Gold?
por: Sorbelli, Diego, et al.
Publicado: (2021)

Gold-Aluminyl and Gold-Diarylboryl Complexes: Bonding and Reactivity with Carbon Dioxide
por: Sorbelli, Diego, et al.
Publicado: (2022)

Unraveling differences in aluminyl and carbene coordination chemistry: bonding in gold complexes and reactivity with carbon dioxide
por: Sorbelli, Diego, et al.
Publicado: (2022)

Efficient Computation of Geometries for Gold Complexes
por: Leach, Isaac F., et al.
Publicado: (2021)

Radical-like reactivity for dihydrogen activation by coinage metal–aluminyl complexes: computational evidence inspired by experimental main group chemistry
por: Sorbelli, Diego, et al.
Publicado: (2022)

What Singles out Aluminyl Anions? A Comparative Computational Study of the Carbon Dioxide Insertion Reaction in Gold–Aluminyl, −Gallyl, and −Indyl Complexes
por: Sorbelli, Diego, et al.
Publicado: (2022)

Mechanistic Study of Alkyne Insertion into Cu–Al and Au–Al Bonds: A Paradigm Shift for Coinage Metal Chemistry
por: Sorbelli, Diego, et al.
Publicado: (2022)

Cationic Gold(I) Diarylallenylidene Complexes: Bonding Features and Ligand Effects
por: Sorbelli, Diego, et al.
Publicado: (2019)

Spectroscopic/Bond Property Relationship in Group 11 Dihydrides via Relativistic Four-Component Methods
por: Sorbelli, Diego, et al.
Publicado: (2020)

An ETS‐NOCV‐based computational strategies for the characterization of concerted transition states involving CO(2)
por: Sorbelli, Diego, et al.
Publicado: (2022)

Dioxygen insertion into the gold(i)–hydride bond: spin orbit coupling effects in the spotlight for oxidative addition
por: Gaggioli, Carlo Alberto, et al.
Publicado: (2016)

Orbital Decomposition of the Carbon Chemical Shielding Tensor in Gold(I) N‐Heterocyclic Carbene Complexes
por: Izquierdo, Maria A., et al.
Publicado: (2020)

Homolytic X‐H Bond Cleavage at a Gold(III) Hydroxide: Insights into One‐Electron Events at Gold
por: Engbers, Silène, et al.
Publicado: (2022)

Experimental and Theoretical Investigation of Ion Pairing in Gold(III) Catalysts
por: Segato, Jacopo, et al.
Publicado: (2023)

Spectroscopic Manifestations and Implications for Catalysis of Quasi‐d(10) Configurations in Formal Gold(III) Complexes
por: Trifonova, Evgeniya A., et al.
Publicado: (2022)

Revisiting Formal Copper(III) Complexes: Bridging Perspectives with Quasi‐d ( 10 ) Configurations
por: Leach, Isaac F., et al.
Publicado: (2022)

Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds
por: Suzuki, Akane, et al.
Publicado: (2020)

Monitoring of the Pre-Equilibrium Step in the Alkyne Hydration Reaction Catalyzed by Au(III) Complexes: A Computational Study Based on Experimental Evidences
por: Sabatelli, Flavio, et al.
Publicado: (2021)

Activation of Electrophile/Nucleophile Pair by a Nucleophilic and Electrophilic Solvation in a S(N)Ar Reaction
por: Sánchez, Bruno, et al.
Publicado: (2018)

How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes
por: Bistoni, Giovanni, et al.
Publicado: (2016)

Controlling the nucleophilic properties of cobalt salen complexes for carbon dioxide capture
por: Chiong, Meliton R., et al.
Publicado: (2019)

Unraveling mechanisms of the uncoordinated nucleophiles: theoretical elucidations of the cleavage of bis(p-nitrophenyl) phosphate mediated by zinc-complexes with apical nucleophiles
por: Zhou, Xiaoyu, et al.
Publicado: (2019)

How the Nature of an Alpha-Nucleophile Determines a Brønsted Type-Plot and Its Reaction Pathways. An Experimental Study
por: Campodónico, Paola R., et al.
Publicado: (2022)

Frozen-Density Embedding for Including Environmental Effects in the Dirac-Kohn–Sham Theory: An Implementation Based on Density Fitting and Prototyping Techniques
por: De Santis, Matteo, et al.
Publicado: (2022)

Molecular titanium nitrides: nucleophiles unleashed
por: Grant, Lauren N., et al.
Publicado: (2017)

Nucleophile-intercepted Beckmann fragmentation reactions
por: Touchette, Samuel J., et al.
Publicado: (2019)

Nucleophilic cyclopropanation of [60]fullerene by the addition–elimination mechanism
por: Biglova, Yulya N., et al.
Publicado: (2019)

Electrophilically Activated Nitroalkanes in Reactions With Carbon Based Nucleophiles
por: Aksenov, Nicolai A., et al.
Publicado: (2020)

The influence of acceptor nucleophilicity on the glycosylation reaction mechanism
por: van der Vorm, S., et al.
Publicado: (2017)

Stereospecific nucleophilic substitution at tertiary and quaternary stereocentres
por: Lanke, Veeranjaneyulu, et al.
Publicado: (2020)

C–H activation and nucleophilic substitution in a photochemically generated high valent iron complex
por: Lim, Jia Hui, et al.
Publicado: (2018)

Nucleophile responsive charge-reversing polycations for pDNA transfection
por: Lewis, Reece W., et al.
Publicado: (2023)

Nucleophile promoted gold redox catalysis with diazonium salts: C–Br, C–S and C–P bond formation through catalytic Sandmeyer coupling
por: Peng, Haihui, et al.
Publicado: (2016)

Photoinduced nucleophilic substitution of iodocubanes with arylthiolate and diphenylphosphanide ions. Experimental and computational approaches
por: Jimenez, Liliana B., et al.
Publicado: (2018)

A nonheme peroxo-diiron(iii) complex exhibiting both nucleophilic and electrophilic oxidation of organic substrates
por: Török, Patrik, et al.
Publicado: (2021)

Calixarene alpha-ketoacetylenes: versatile platforms for reaction with hydrazine nucleophile
por: Muravev, Anton A., et al.
Publicado: (2018)

Ionic Liquids Catalysis for Carbon Dioxide Conversion With Nucleophiles
por: Xia, Shu-Mei, et al.
Publicado: (2018)

Insights into the nucleophilic substitution of pyridine at an unsaturated carbon center
por: Du, Pan, et al.
Publicado: (2021)

Organophotocatalytic carbo-heterofunctionalization of unactivated olefins with pendant nucleophiles
por: Fischer, David M., et al.
Publicado: (2023)

Asymmetric synthesis of multifunctional aryl allyl ethers by nucleophilic catalysis
por: Zhao, Shuai, et al.
Publicado: (2019)

Cannot write session to /tmp/vufind_sessions/sess_3vcgdtjiqsg57f06lsc2bbvh9k