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Ligand-to-metal ratio controls stereoselectivity: Highly functional-group-tolerant, iridium-based, (E)-selective alkyne transfer semihydrogenation
(Elsevier, 2022)Herein, we present (E)-selective transfer semihydrogenation of al kynes based on an iridium complex in situ generated from [Ir(COD)Cl]2 and an unsymmetrical (bearing two different phosphorous cen ters), ferrocene-based ... -
Light-Induced Dealkylation of Benzamides in Aqueous Solution
(Wiley, 2022)The N-dealkylation reactions of benzamides occur naturally in living organisms but chemical methods remain poorly developed. So far, light-induced variants of these processes have been restricted to amides containing ... -
Machine Learning May Sometimes Simply Capture Literature Popularity Trends: A Case Study of Heterocyclic Suzuki–Miyaura Coupling
(American Chemical Society, 2022-03-08)Applications of machine learning (ML) to synthetic chemistry rely on the assumption that large numbers of literature-reported examples should enable construction of accurate and predictive models of chemical reactivity. ... -
The magic of biaryl linkers: the electronic coupling through them defines the propensity for excited-state symmetry breaking in quadrupolar acceptor–donor–acceptor fluorophores
(Royal Society of Chemistry, 2023)Charge transfer (CT) is key for molecular photonics, governing the optical properties of chromophores comprising electron-rich and electron-deficient components. In hotoexcited dyes with an acceptor–donor–acceptor or ... -
Magnetic Antiaromaticity─Paratropicity─Does Not Necessarily Imply Instability
(ACS Publications, 2023)Magnetically induced ring currents are a conventional tool for the characterization of aromaticity. Dia- and paratropic currents are thought to be associated with stabilization (aromaticity) and destabilization (antiaromaticity), ... -
Modified glucose as a sensor to track the metabolism of individual living endothelial cells - Observation of the 1602 cm-1 band called “Raman spectroscopic signature of life”
(Elsevier, 2023)A relatively new approach to subcellular research is Raman microscopy with the application of sensors called Raman probes. This paper describes the use of the sensitive and specific Raman probe, 3-O-propargyl-D-glucose ... -
A Modular Approach to Atropisomeric Bisphosphines of Diversified Electronic Density on Phosphorus Atoms
(MDPI, 2022)The series of C2-symmetric biaryl core-based non-racemic bisphosphines possessing substituents of different electronic properties: both EDG and EWG were obtained in a short sequence of good yielding transformations, started ... -
Modular Nitrogen-Doped Concave Polycyclic Aromatic Hydrocarbons for High-Performance Organic Light-Emitting Diodes with Tunable Emission Mechanisms
(Wiley, 2022)Although bowl-shaped N-pyrrolic polycyclic aromatic hydrocarbons (PAHs) can achieve excellent electron-donating ability, their application for optoelectronics is hampered by typically low photoluminescence quantum yields ... -
Multifunctional Heteropentalenes: From Synthesis to Optoelectronic Applications
(American Chemical Society, 2022)In the broad family of heteropentalenes, the combination of two five-membered heterocyclic rings fused in the [3,2-b] mode has attracted the most significant attention. The relatively straightforward access to these ... -
Network search algorithms and scoring functionsfor advanced-level computerized synthesis planning
(Wiley, 2022)In 2020, a“hybrid”expert-AI computer program called Chematica (a.k.a. Synthia)was shown to autonomously plan multistep syntheses of complex natural prod-ucts, which remain outside the reach of purely data-driven AI programs. ... -
NHC–BIAN–Cu(I)-Catalyzed Friedländer-Type Annulation of 2-Amino-3-(per)fluoroacetylpyridines with Alkynes on Water
(American Chemical Society, 2022)The direct catalytic alkynylation/dehydrative cyclization of 2-amino-3-trifluoroacetyl-pyridines on water was developed for the efficient synthesis of a broad range of fluorinated 1,8-naphthyridines from terminal alkynes. ... -
Non-Kolbe electrolysis of N-protected-α-amino acids: a standardized method for the synthesis of N-protected (1-methoxyalkyl)amines
(Royal Society of Chemistry, 2022-01-12)Here, we report a standardized method for the synthesis of N-protected (1-methoxyalkyl)amines by the electrochemical decarboxylative α-methoxylation of α-amino acid derivatives using the commercially available, easy-to-use, ... -
Novel Method for the Synthesis of Merocyanines: New Photophysical Possibilities for a Known Class of Fluorophores
(Wiley, 2023)A new, transformative method for the preparation of rhodols and other merocyanines from readily available tetrafluorohydroxybenzaldehyde and aminophenols has been developed. It is now possible to prepare merocyanines bearing ... -
On-off-on Control of Molecular Inversion Symmetry via Multi-stage Protonation: Elucidating Vibronic Laporte Rule
(Wiley, 2022)The Laporte rule dictates that one- and two-photon absorption spectra of inversion-symmetric molecules should display alternatively forbidden electronic transitions; however, for organic fluorophores, drawing clear distinction ... -
On-Surface Azide–Alkyne Cycloaddition Reaction: Does It Click with Ruthenium Catalysts?
(American Chemical Society, 2022)Owing to its simplicity, selectivity, high yield, and the absence of byproducts, the “click” azide–alkyne reaction is widely used in many areas. The reaction is usually catalyzed by copper(I), which selectively produces ... -
On-Surface Stereochemical Characterization of a Highly Curved Chiral Nanographene by Noncontact Atomic Force Microscopy and Scanning Tunneling Microscopy
(Chinese Chemical Society, 2023)A highly distorted chiral nanographene structure composed of triple corannulene-fused [5]helicenes is prepared with the help of the Heck reaction and oxidative photo-cyclization with an overall isolated yield of 28%. ... -
Palladium-Catalyzed Access to Benzocyclobutenone-Derived Ketonitrones via C(sp2)–H Functionalization
(American Chemical Society, 2022)The palladium-catalyzed C(sp2)–H functionalization of bromoaryl aldonitrones leading to benzocyclobutenone-derived ketonitrones is described. This method allows for the preparation of a wide range of strained, four-membered ... -
Path-dependency of energy decomposition analysis & the elusive nature of bonding
(Royal Society of Chemistry, 2022)Here, we provide evidence of the path-dependency of the energy components of the energy decomposition analysis scheme, EDA, by studying a set of thirty-one closed-shell model systems with the D2h symmetry point group. For ... -
PEGylated Network Nanostructured by Gold Nanoparticles for Electrochemical Sensing of Aromatic Redox and Nonredox Analytes
(American Chemical Society, 2023)We present the design, tailoring, and physicochemical properties of a multicomponent polyethylene glycol (PEG)-based polymer doped with spherical nanoparticles modified with a lipoic acid derivative of cyclodextrin and its ... -
Photocatalysis in Aqueous Micellar Media Enables Divergent C–H Arylation and N-Dealkylation of Benzamides
(American Chemical Society, 2022-03-04)Photocatalysis in aqueous micellar media has recently opened wide avenues to activate strong carbon−halide bonds. So far, however, it has mainly explored strongly reducing conditions, restricting the available chemical ...