Results 61 to 70 of about 1,579 (190)

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

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

Stacked Antiaromaticity in the π-Congested Space Between the Aromatic Rings in the Anthracene Dimer [PDF]

open access: yes, 2022
Substance containing two π-congested aromatic systems are attractive targets in synthetic studies as well as efforts designed to explore the unique properties that originate from π-congestion.
Yuta, Makihara   +4 more
core   +2 more sources

Next‐Generation Carbon‐Based Anodes for Alkali Metal‐Ion Batteries: Recent Progress on Biphenylene and Emerging Materials

open access: yesENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Recent advances in carbon‐based anodes for alkali metal‐ion batteries are critically reviewed, with emphasis on biphenylene and other emerging carbon allotropes. Biphenylene exhibits exceptional theoretical electrochemical properties beyond conventional graphite, highlighting its strong potential as a next‐generation anode material once scalable ...
Adewale Hammed Pasanaje, Nirpendra Singh
wiley   +1 more source

Antiaromaticity-Promoted Radical Stability in α‑Methyl Heterocyclics

open access: yes
Aromaticity is a fundamental and important concept in chemistry, and usually, the enhancement of aromaticity brings additional thermodynamic stability to a compound.
Lu Lin (201289), Jun Zhu (84054)
core   +1 more source

Modifying Catalytic Sustainability in Renaud Catalysts: Hints From Aromaticity, Conceptual DFT, and Steric Mapping

open access: yesEuropean Journal of Organic Chemistry, EarlyView.
Replacing precious‐metal hydrogenation catalysts with sustainable iron systems is becoming a central challenge in catalysis. This predictive computational study reveals how rational redesign of Knölker‐type iron complexes dramatically enhances catalytic performance.
Carles Alcaide   +6 more
wiley   +1 more source

Molecules in a Hurry to Get Rid of Antiaromaticity

open access: yes, 2022
When light strikes an aromatic molecule, the electrons rearrange, and the compound can gain antiaromatic character, becoming especially reactive.
Karas, Lucas Jose
core  

Diboron‐Embedded Heteroacenes With Systematically Varied Central π‐Skeletons and Fusion Modes

open access: yesHelvetica Chimica Acta, EarlyView.
We synthesized diboron‐embedded acenes and revealed that fusion mode governs electronic properties, whereas molecular symmetry dictates crystal packing. One C2v‐symmetric isomer forms a uniform columnar π‐stacked array. ABSTRACT Diboron‐embedded heteroacenes with systematically varied central π‐skeletons and fusion modes were synthesized via one‐pot ...
Tatsuya Mori   +5 more
wiley   +1 more source

Reversal of Clar's Aromatic‐Sextet Rule in Ultrashort Single‐End‐Capped [5,5] Carbon Nanotubes

open access: yesChemistryOpen, 2020
The three‐fold HOMO‐LUMO gap oscillation, typical of finite length armchair carbon nanotubes (CNT), has a major effect on the magnetic response of ultrashort, single‐end‐capped [5,5] carbon nanotubes to a perturbing magnetic field parallel to the main ...
Dr. Guglielmo Monaco   +2 more
doaj   +1 more source

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