Results 41 to 50 of about 618 (167)

Antiaromaticity‐Driven Enhancement of Single‐Molecule Electrical Conductance by s‐Indacene Molecular Bridges

open access: yesAngewandte Chemie, Volume 138, Issue 33, 10 August 2026.
Within the same molecular length scale, antiaromatic s‐indacene exhibits a marked increase in conductance compared to its aromatic benzodithiophene counterpart. Notably, the inherently small HOMO–LUMO gap of antiaromatic systems maintains a certain level of conductance even in the presence of cross‐conjugation.
Ching‐Piao Chu   +8 more
wiley   +2 more sources

Excited‐State Antiaromaticity in Nonbenzenoid Aromatics: Examining the Dynamics of Intramolecular Proton Transfer With a Small Driving Force

open access: yesAngewandte Chemie, Volume 138, Issue 33, 10 August 2026.
The excited‐state antiaromaticity of hydroxybenzotropyliums (HBTs) can be tuned through substituent effects to bring the aromatic ‘enol’ (E) and keto (K) tautomers close in energy. This leads to abnormally slow excited‐state proton transfer (on the ns timescale), giving rise to dual fluorescence emission and weak photoacidity.
Promeet K. Saha   +6 more
wiley   +2 more sources

Contemplation on some cyclic N8 isomers-A DFT treatment

open access: yesDefence Technology, 2018
Various cyclic N8 isomers are considered at the levels of B3LYP/6–311++G(d,p) and B3LYP/cPVTZ. Some energies and molecular orbital properties are obtained. The structures are found to be stable in the singlet state but mostly unstable in the triplet. The
Lemi Türker
doaj   +1 more source

Highly-conducting molecular circuits based on antiaromaticity

open access: yesNature Communications, 2017
Antiaromatic molecules are predicted to have unusual charge transport properties, but are notoriously unstable and reactive. Here, the authors successfully fabricate an antiaromatic molecular circuit, based on a macrocyclic complex, displaying much ...
Shintaro Fujii   +8 more
doaj   +1 more source

Probing Effects of Electron Addition to Polycyclic Conjugated Hydrocarbons Containing Four‐Membered Rings

open access: yesChemistryEurope
The rectangular cyclobutadiene (CBD, C4H4) is a unique moiety for building nonbenzenoid polycyclic conjugated hydrocarbons with interesting electron‐accepting properties.
Yikun Zhu   +4 more
doaj   +1 more source

Modular One‐Pot Access to π‐Expanded Tetrakis(Phenothiazinyl)‐Silanes With Broadly Tunable Redox and Emission Properties

open access: yesChemistry – A European Journal, EarlyView.
A library of 21 tetrakis(phenothiazinyl)‐substituted silanes with broadly variable substituent decoration, which are fully reversible multistage redox systems with intense tunable emission from deep blue to yellow–green (441–533 nm), was rapidly synthesized by bromine–lithium exchange/borylation–Suzuki coupling of tetrakis(4‐bromophenyl)silane or by ...
Thomas P. M. Merke   +4 more
wiley   +1 more source

antiaromaticity

open access: yes, 2008
Citation: 'antiaromaticity' in the IUPAC Compendium of Chemical Terminology, 3rd ed.; International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. 10.1351/goldbook.AT06987 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms.
openaire   +1 more source

Electronic Transport in Antiaromatic Molecules

open access: yesPhysical Chemistry Chemical Physics
It has been pointed out that antiaromaticity may, under certain conditions, enhance electron transport. Here, we explore this relationship by analyzing a representative series of antiaromatic molecules, ranging from small and large-sized monocyclic systems to polycyclic molecules.
Kenan Uriostegui   +6 more
openaire   +2 more sources

Synthesis of Tris(indol‐3‐yl)methanes From Indoles, CO2, and Dimethylphenylsilane With BPh3: Two‐Step Construction of π‐Conjugated Systems

open access: yesChemistry – A European Journal, EarlyView.
Tris(indol‐3‐yl)methanes were synthesized from indoles, CO2, and PhMe2SiH in the presence of BPh3 in acetonitrile at 50°C. One product, tris(4‐bromo‐1‐methylindol‐3‐yl)methane, underwent a palladium‐catalyzed cascade reaction for the formation of a novel polycyclic heteroaromatic compound, where the methine C(sp3) atom originating from CO2 was ...
Sha Li   +5 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

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