Covalent Capture of Nitrous Oxide by N-Heterocyclic Carbenes

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Examples for applications of nitrous oxide in organic synthesis remain rare up until today. First mayor contributions of our group were published in 2012, when nitrous oxide was successfully captured by N-heterocyclic carbenes. Subsequent studies investiga ...

Micro- and nanosized particles of liquid metals, particularly Ga-based alloys, are attracting increasing attention for applications in several fields. The surface functionalization of Ga-based nanoparticles (NPs) with organic ligands renders easily process ...

Nitrous oxide (N2O) has gained much interest because of its physiological effects ("laughing gas") and its negative environmental impact ("greenhouse gas", "ozone-depleting substance"): It has a lifetime of more than 100 years in the atmosphere. Its persis ...

Computing the GW quasiparticle band structure and Bethe-Salpeter equation (BSE) absorption spectra for materials with spin-orbit coupling have commonly been done by treating GW corrections and spin-orbit coupling (SOC) as separate perturbations to density- ...

This thesis consists in an extensive study about the enantioselective Pictet-Spengler reaction (EPSR) and its application to the total synthesis of monoterpene indole alkaloids (MIAs). The general introduction presents the literature background about this ...

We address the many-body self-interaction in relation to polarons in density functional theory. Our study provides (i) a unified theoretical framework encompassing many-body and one-body forms of self-interaction and (ii) an efficient semilocal scheme for ...

N-Heterocyclic carbenes (NHCs) react at ambient conditions with nitrous oxide to give covalent adducts. In the crystal, all compounds show a bent N2O group connected via the N-atom to the former carbene carbon atom. Most adducts are stable at room temperat ...

Metal-mediated cleavage of the N–N bond is a rarely observed phenomenon in the chemistry of nitrous oxide (N2O). We demonstrate that, upon activation of N2O with N-heterocyclic carbenes, zerovalent nickel is able to insert into the N–N bond to give nitrosy ...

The dinuclear Ru(II) complexes (arene)Ru(μ-Cl)3RuCl(C2H4)(PCy3) (arene = p-cymene or 1,3,5-C6H3iPr3) react with N2O under mild conditions to give OPCy3 and the trinuclear complexes (arene)Ru(μ-Cl)3Ru(μ-Cl)3Ru(arene). The N-heterocyclic carbene complex (p-c ...

A series of ruthenium(II) N-heterocyclic carbene chelate complexes were prepd. by using bidentate chelating alkene-carbene, thioether-carbene, carboxylate-carbene and bis-carbene ligands. Metalation of 1-R-3-X-imidazolium salts (1-3, R = Me, X = allyl, MeS ...

Amino alcohols, cyclopropanes and nitriles are privileged structural motifs found in the scaffold of natural products and bioactive compounds. In addition, they are versatile building blocks in organic chemistry. The development of new and increasingly eff ...

Reactions between N-heterocyclic carbenes (NHCs) and the trityl cation, [Ph3C]+, give covalent adducts of type [NHC–CPh3]+ and/or [NHC–C6H5–CPh2]+. EPR spectroscopy, UV-Vis analyses, and trapping experiments imply that adduct formation involves carbene rad ...

Beyond the second row of the periodic table, the nature of the multiple bonds between the elements of the main groups remains yet elusive, and "non-classical" bonding schemes are often invoked for their description. Here, focusing on group 14, we have perf ...

Many biological systems are composed of nanoscale structures having hydrophobic and hydrophilic groups adjacent to one another and in contact with aqueous electrolyte solution. The interaction of ions with such structures is of fundamental importance. Alth ...

In this study, a manganese(IV) oxide-mediator (MnO2-mediator) system for the abatement of sulfonamide antibiotics was evaluated. Two simple model humic constituents, syringaldehyde (SA) and acetosyringone (AS), could promote the transformation of sulfonami ...

The recycling of homogeneous acids imposes great challenges to the feasibility of lignocellulose hydrolysis processes. Although heterogeneous catalysts would offer a perspective to circumvent these challenges, conventional solid acids are instable under th ...

Hydrogenolysis of C-O bonds is a highly challenging reaction with the most efficient catalysts based on bimetallic assemblies. Systematic studies to identify the optimum metal combination have not been performed and, therefore, we designed a method to scre ...

We investigate the solvation effect of water on the overpotentials of the oxygen evolution reaction on rutile TiO2 by applying the thermodynamic integration method on atomistic model interfaces with and without the water molecules. We compare the results a ...

N-Heterocyclic carbenes are able to form covalent adducts with nitrous oxide (N2O) under ambient conditions. This thesis summarizes the studies of these adducts and their reactivity. A ditopic carbanionic N-heterocyclic carbene was found to react with nit ...

Carbo- and heterocyclic structures containing nitrogen-substituted stereocenters are recurrent structural motifs in natural and bioactive compounds, therefore constituting a privileged class of synthetic targets. In this regard, substituted three- and four ...

Covalent Capture of Nitrous Oxide by N-Heterocyclic Carbenes

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Isolation, Characterisation and Reactivity of N-Heterocyclic Diazoolefins

Modulating the Reactivity of Liquid Ga Nanoparticle Inks by Modifying Their Surface Chemistry

Synthetic chemistry with nitrous oxide and triazenes

Spinor GW /Bethe-Salpeter calculations in BerkeleyGW: Implementation, symmetries, benchmarking, and performance

Catalytic enantioselective Pictet-Spengler reaction of carbonyl compounds: Development and application to the asymmetric total synthesis of indole alkaloids

Many-Body Self-Interaction and Polarons

Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity

Insertion of Zerovalent Nickel into the N–N Bond of N-Heterocyclic-Carbene-Activated N2O

Activation of Nitrous Oxide by Dinuclear Ruthenium Complexes

Chelating NHC Ruthenium(II) Complexes as Robust Homogeneous Hydrogenation Catalysts

New Strategies for the Functionalization of Alkenes Exploiting Tethering Chemistry and Ring Strain

SET processes in Lewis acid–base reactions: the tritylation of N-heterocyclic carbenes

To bend or not to bend, the dilemma of multiple bonds

The Diverse Nature of Ion Speciation at the Nanoscale Hydrophobic/Water Interface

Enhanced transformation of sulfonamide antibiotics by manganese(IV) oxide in the presence of model humic constituents

Hydrothermally Stable Sulfonated Carbons as Solid Acid Catalysts for the Hydrolysis of Lignocellulose

Discovery of a Highly Active Catalyst for Hydrogenolysis of C-O Bonds via Systematic, Multi-metallic Catalyst Screening

Effect of the Solvent on the Oxygen Evolution Reaction at the TiO2-Water Interface

Dyes, Radicals and Nitrous Oxide Adducts Derived from N-Heterocyclic Carbenes

Developing Reactions of Strained Rings : Enantioselective Desymmetrization of meso-Diaminocyclopropanes and Annulation of Donor-Acceptor Aminocyclobutanes