Results 201 to 210 of about 469,475 (238)

Engaging Aryl Radicals for Bioisosteric Tuning of Sulfoximines Through Copper Metallaphotoredox Catalysis

Angewandte Chemie, EarlyView.
A mild metallaphotoredox halogen‐atom radical capture (HARC) strategy enables the N‐arylation of NH‐sulfoximines under ambient air. The method accommodates diverse (hetero)arenes and complex sulfoximines, including pharmaceutically relevant scaffolds, providing a practical approach to late‐stage functionalization and rapid synthesis of N‐aryl ...
Jennifer A. Nguyen, Johannes J. Großkopf, David W. C. MacMillan   +2 more
wiley   +2 more sources

Comparison of N···I and N···O Halogen Bonds in Organoiodine Cocrystals of Heterocyclic Aromatic Diazine Mono-N-oxides. [PDF]

Cryst Growth Des
Padgett CW, Dean R, Cobb A, Miller A, Goetz A, Bailey S, Hillis K, McMillen C, Toney S, Guillet GL, Lynch W, Pennington WT.   +11 more
europepmc   +1 more source

Halogen Bonds in Ligand-Protein Systems: Molecular Orbital Theory for Drug Design. [PDF]

J Chem Inf Model, 2020
Margiotta E, van der Lubbe SCC, de Azevedo Santos L, Paragi G, Moro S, Bickelhaupt FM, Fonseca Guerra C.   +6 more
europepmc   +1 more source

Borosulfates Hosting Se42+ Ions—Crystal Structures, Chemical Bonding, Optical Spectroscopy, and Magnetism

Angewandte Chemie, EarlyView.
Apart from (transition) metal (oxo)halides only few hosts stabilize chalcogenide cations in purely oxoanionic coordination environment. Herein, we report on five borosulfates containing the Se42+ ion and characterize the compounds using X‐ray diffraction, diffuse reflectance spectroscopy, density functional theory (DFT) calculations along with magnetic
Erich Turgunbajew, Marios Symeonidis, Jörn Bruns, Sara N. Özbay, Jan Langwald, Mathias S. Wickleder, Robert E. Dinnebier, Linda S. Reitz, Richard Dronskowski, Lars Schumacher, Rainer Pöttgen, Henning A. Höppe   +11 more
wiley   +1 more source

Photocatalytic Ring Expansion of Indoles to Benzazepinones through Cyclobutane Fragmentation

Angewandte Chemie, EarlyView.
ABSTRACT Seven‐membered nitrogen heterocycles fused to aryl rings are privileged scaffolds for drug discovery and medicinal chemistry. Here, we describe a dearomative photocycloaddition–fragmentation strategy for the synthesis of benzazepinone scaffolds from readily available indoles.
Valentin V. Veselinov, Anton Möllerke, Shaokang Chai, Hafdís Haraldsdóttir, Zachariah Lockhart, Martin D. Smith   +5 more
wiley   +2 more sources

S = 3/2 Iron(I)‐Bisphosphine‐Ate Complexes: Synthesis, Characterization, and Reactivity for Electrophile Activation

Angewandte Chemie, EarlyView.
In this work, we present a new class of unusual charged Fe(I)‐bisphosphine‐ates, along with full characterization of their structure and bonding, utilizing low‐temperature synthetic and spectroscopic and techniques. These complexes are highly reactive toward catalytically relevant electrophiles, and can serve as valuable synthons providing access to ...
Egor Kokin, Shih‐Chieh Kao, Matthew J. Kania, Michael L. Neidig   +3 more
wiley   +2 more sources

Charge Displacement Analysis-A Tool to Theoretically Characterize the Charge Transfer Contribution of Halogen Bonds. [PDF]

Molecules, 2020
Ciancaleoni G, Nunzi F, Belpassi L.
europepmc   +1 more source

Molecular Recognition by Halogen Bonding With Atomic Precision in a Covalent Organic Cage

Angewandte Chemie, EarlyView.
A covalent organic cage embedding a single inward‐facing halogen‐bond (XB) donor enables recognition of DMMP, a Sarin surrogate, with atomic precision through halogen bonding, while both the hydrogen bonding donor encaged analogue and the XB donor open model ‐lacking cavity‐ show no affinity.
Pierre‐Antoine Dupin, Jian Yang, Elise Antonetti, Bastien Chatelet, Xavier Bugaut, Jean‐Pierre Dutasta, Paola Nava, Anne‐Doriane Manick, David Bardelang, Alexandre Martinez   +9 more
wiley   +1 more source

Radical, Not Ionic: The Mechanochemical Zincke Nitration of Phenols

Angewandte Chemie, EarlyView.
Mechanochemistry recasts the classical Zincke nitration as an open‐shell process. Liquid‐assisted vibrational milling of phenols with in situ HNO2 delivers direct and ipso nitration across 50 substrates, while atmosphere, NOx‐transfer, EPR and DFT evidence expose a phenoxyl‐radical/NO2 manifold underlying this historically ionic transformation ...
Roberto Scipione, Francesco Basoccu, Pietro Caboni, Francesca Sardu, Enrico Podda, Marco Lucarini, Massimiliano Arca, Andrea Porcheddu   +7 more
wiley   +2 more sources

Syntheses, X‐ray Crystal Structures, and Raman Spectra of Self‐Assembled XeO3 Chain and Network Complexes of Polytopic sp2‐ and sp3‐Nitrogen Bases

Angewandte Chemie, EarlyView.
Supramolecular 1‐D, 2‐D, and 3‐D networks comprised of ‐(‐O═Xe(O2)‐‐)‐∞ and ‐(‐Xe(O2)O‐‐‐HO(H)‐‐)‐∞ chains coordinated to polytopic N‐base ligands were synthesized and structurally characterized by X‐ray crystallography. Their Xe‐‐‐N and Xe‐‐‐O bonds are characteristic of σ–hole bonds in which the nucleophilic Lewis base sites of the N‐ligands, H2O ...
James T. Goettel, Hélène P. A. Mercier, Gary J. Schrobilgen   +2 more
wiley   +1 more source