Results 21 to 30 of about 1,130 (95)

Atom Swapping Reaction on Diborylcarbenoid: Synthesis and Electronic Structure of Inorganic Chalcogenophene Analogues

open access: yesChemistry – A European Journal, EarlyView.
ABSTRACT Inorganic analogues of aromatic compounds, wherein C═C bonds are replaced with B─N bonds, are isoelectronic with the original aromatic compounds, however, they can show different properties. While borazine, an inorganic analogue of benzene, has been well‐studied, inorganic analogues of chalcogenophene have been less explored.
Yuki Shibutani   +3 more
wiley   +1 more source

Expanding Cyanide‐Bridged Weakly Coordinating Anions Through the Brominated Silver Salt Ag[BCNBBr]

open access: yesChemistry – A European Journal, EarlyView.
The brominated weakly coordinating anion [μ‐(CN)(B(C6F4Br)3)2] ([BCNBBr]−), based on two B(C6F4Br)3 units bridged by cyanide, is obtained as its silver salt Ag[BCNBBr] from CH2Cl2. Ag[BCNBBr] enables oxidation and halide abstraction reactions, affording diverse [BCNBBr]− salts with oxidizing and electrophilic cations.
Amina L. Moshtaha   +4 more
wiley   +1 more source

Exploring the Boundaries of Aromaticity in Complex Structures and Excited States Through Computational Analysis

open access: yesChemistry – A European Journal, EarlyView.
Understanding aromaticity has evolved from benzene‐centric concepts to a broad multidimensional framework spanning organic, inorganic, and excited‐state systems. This review highlights ambiguities between magnetic, electronic, geometric, and energetic descriptors, emphasizing the need for unified, multi‐criteria approaches.
Sílvia Escayola   +2 more
wiley   +1 more source

A Homoleptic Copper(I) Acetylene Complex

open access: yesChemistry – A European Journal, EarlyView.
Ligand substitution of weakly coordinated N2 in [(N2)Cu{Al(ORF)4}] (RF = C(CF3)3) leads to the homoleptic acetylene complex [Cu(C2H2)3]+[Al(ORF)4]−, which was characterized by single crystal x‐ray diffraction, NMR, and Raman spectroscopy, as well as by extensive quantum chemical calculations. ABSTRACT We report the synthesis and characterization of the
Julie Willrett   +3 more
wiley   +1 more source

Anion Exchange Pathways in Half‐Heusler‐Type Holmium Hydride Oxide HoHO

open access: yesEuropean Journal of Inorganic Chemistry, EarlyView.
The oxidation of half‐Heusler‐type holmium hydride oxide HoHO in air is tracked by in situ neutron powder diffraction, revealing Ho2H0.50O2.75 as the holmium analogue of the Y2H0.50O2.75 intermediate in YHO. Despite nearly identical ionic radii and closely related intermediate structures, the holmium system shows a narrower stability range and faster ...
Marvin Michak, Holger Kohlmann
wiley   +1 more source

Mixture‐Quantitative Structure–Property Relationship Approaches for Jet Fuel‐Component Blends: A Review

open access: yesMolecular Informatics, Volume 45, Issue 9, September 2026.
A literature review of QSPR approaches to predict jet fuel properties. It exposes the fundamental principles of QSPR and illustrates pure‐compound QSPR through examples of applications for jet fuel components. Mixture‐QSPR (M‐QSPR) modeling specificities are addressed: mixtures representation, design of descriptors for mixtures, and impact on internal ...
Erik Yeghyan   +3 more
wiley   +1 more source

Number and Position of Methoxy Substituents Govern Photophysics and Visible‐Light Photocatalysis in Earth‐Abundant Cu(I) Complexes

open access: yesChemSusChem, Volume 19, Issue 16, 27 August 2026.
The number and position of methoxy substituents provide a versatile molecular toolbox for tuning the photophysics and visible‐light photocatalytic performance of heteroleptic Cu(I) photosensitizers. Earth‐abundant Cu(I) photosensitizers are promising systems for visible‐light‐driven photocatalysis, but further design guidelines are required to relate ...
Kurt J. Haseloff   +6 more
wiley   +1 more source

Fragmentation of Vancoresmycin Reveals a Strong Dependence on Global Molecular Architecture for Antibacterial Activity

open access: yesChemMedChem, Volume 21, Issue 15, 14 August 2026.
Fragmentation of the natural product vancoresmycin reveals an essential role of global architecture for biological potency. Vancoresmycin is a structurally complex tetramic‐acid‐containing natural product with potent activity against Gram‐positive bacteria, yet its structure–activity relationships remain poorly defined.
Max Schönenbroicher   +8 more
wiley   +1 more source

Variously Substituted Cyclopenta[2,1‐b:3,4‐b’]difluorenyl Radicals: A Validation of Clar's Rule

open access: yesEuropean Journal of Organic Chemistry, Volume 29, Issue 30, 12 August 2026.
Clar's empiric rule implies that the most contributing resonance formula is that with the maximum number of fully intact benzene rings. This is now further supported experimentally by the synthesis of two further, differently substituted cyclopenta[2,1‐b:3,4‐b’]difluorenyl radicals.
Ali S. Acan   +3 more
wiley   +1 more source

Supramolecular Host‐Guest Complexation Dynamics by Cost‐Efficient Electronic Structure Methods

open access: yesChemistry – A European Journal, Volume 32, Issue 29, 7 August 2026.
We present a cost‐effective multilevel workflow for the kinetic profiling of host–guest systems, illustrated with cucurbit[6]uril and alkylammonium cations. The method combines rapid docking and reaction path searches at the semi‐empirical level, with refinement of the results using modern density functional theory, accurately reproducing experiment ...
Thomas Gasevic   +6 more
wiley   +1 more source

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