Structure and Reactivity of N-Heterocyclic Alkynyl Hypervalent Iodine Reagents

Chat with Graph Search

Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.

DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.

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 ...

Molecular machines offer many opportunities for the development of responsive materials and introduce autono-mous motion in molecular systems. While basic molecular switches and motors carry out one type of motion upon being exposed to an external stimulus ...

A new solid-state method was used to introduce a furan-thiourea polymer into the pores of a MOF, Cr-BDC. Next, the activity of the new MOF-polymer composite containing Pd was assessed in the catalytic hydrodeoxygenation of vanillin, a biomass derived chemi ...

Using classical molecular dynamics simulations, we investigate the dielectric properties at interfaces of water with graphene, graphite, hexane, and water vapor. For graphite, we compare metallic and nonmetallic versions. At the vapor-liquid water and hexa ...

Friction and wear occur at every interface between solid materials. In the design of mechanical devices, it is desirable to be able to quantify and control the amount of friction and wear, as well as predict their evolution with time. ``Tribology'' is the ...

We introduce turboMagnon, an implementation of the Liouville-Lanczos approach to linearized time-dependent density-functional theory, designed to simulate spin-wave spectra in solid-state materials. The code is based on the noncollinear spin-polarized fram ...

We describe the use of CO2 as a promising C1 source instead of CO in the tandem Pauson-Khand reaction. The reaction is achieved by combining the reduction of CO2 to CO using a metal organic framework (MOF) catalyst with homogeneous rhodium catalysts for th ...

Ethynylbenziodoxolones (EBXs) are commonly encountered reagents for the electrophilic alkynylation of nucleophiles. Herein, we report a one-pot, two-step process for EBX generation and their direct application in substrate functionalization. Our approach e ...

Knowledge of the structure of amorphous solids can direct, for example, the optimization of pharmaceutical formulations, but atomic-level structure determination in amorphous molecular solids has so far not been possible. Solid-state nuclear magnetic reson ...

Non-covalent bonding patterns are commonly harvested as a design principle in the field of catalysis, supramolecular chemistry, and functional materials to name a few. Yet, their computational description generally neglects finite temperature and environme ...

A few months before the COVID-19 pandemic, Pierre Vogel and Kendall N. Houk published with a new textbook Wiley-VCH, "Organic Chemistry: Theory, Reactivity, and Mechanisms in Modern Synthesis", with a foreword from the late Roberts H. Grubbs. The book demo ...

In extension with growing concern to develop new antimicrobial organometallic drugs, an attempt has been made to synthesize five new antimicrobial organotin(IV) carbodithioates with general formula, Me2SnClL (1), Me2SnL2 (2), Et2SnClL (3), Et2SnL2 (4), Bu2 ...

In comparison with Ru-II-arene compounds, the medicinal potential of homologous Ru-II-tpm compounds [tpm = tris(pyrazolyl)methane] is underexplored. Pyridine, 4-pyridinemethanol and four functionalized pyridines, synthesized from the esterification of 4-py ...

In the fields of microgripping and microassembly, the self-alignment motion of a solid micro-object linked by a liquid meniscus to a substrate or a tool is an inexpensive way to overcome the current limitations of the assembly processes at microscale by ge ...

We study the water dehydrogenation reaction at the BiVO4(010)-water interface by combining nudged-elastic-band calculations and electronic structure calculations at the hybrid functional level. We investigate the pathway and the kinetic barrier for the adi ...

Molecular simulations allow to investigate the behaviour of materials at the atomistic level, shedding light on phenomena that cannot be directly observed in experiments. Accurate results can be obtained with ab initio methods, while simulations of large-s ...

Structure and Reactivity of N-Heterocyclic Alkynyl Hypervalent Iodine Reagents

Chat with Graph Search

Synthetic chemistry with nitrous oxide and triazenes

Coupled Rotary and Oscillatory Motion in a Second-Generation Molecular Motor Pd Complex

Solid-state synthesis of a MOF/polymer composite for hydrodeoxygenation of vanillin

Effects of surface rigidity and metallicity on dielectric properties and ion interactions at aqueous hydrophobic interfaces

Modeling the origins of adhesive wear across scales

turboMagnon - A code for the simulation of spin-wave spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory

Tandem Pauson-Khand Reaction Using Carbon Dioxide as the C1-Source

Tosyloxybenziodoxolone: A Platform for Performing the Umpolung of Alkynes in One-Pot Transformations

Structure determination of an amorphous drug through large-scale NMR predictions

Assessing the persistence of chalcogen bonds in solution with neural network potentials

Organic Chemistry and Synthesis Rely More and More upon Catalysts

Structural elucidation and antibacterial activity of new dialkylstannyl- and chlorodialkylstannyl(IV) 3,4-dihydroisoquinoline-2-(1H)-carbodithioate

Anticancer ruthenium(II) tris(pyrazolyl)methane complexes with bioactive co-ligands

Two-dimensional modelling of transient capillary driven damped micro-oscillations and self-alignment of objects in microassembly

Oxygen Evolution at the BiVO4-Water Interface: Mechanism of the Water Dehydrogenation Reaction

Transferable machine-learning models of complex materials: the case of GaAs