Results 71 to 80 of about 1,579 (190)

Linearly Expanded Azulenes in the S0$$ {\mathrm{S}}_0 $$, T1$$ {\mathrm{T}}_1 $$, and Qu1$$ {\mathrm{Qu}}_1 $$ States: A Unified View of Electronic Structure and Aromaticity

Journal of Computational Chemistry, Volume 47, Issue 25, September 30, 2026.
Linear expansion of azulene leads to markedly different electronic behavior from that of the corresponding acenes, including an earlier emergence of open‐shell character. Simple resonance structures provide an intuitive framework for understanding these trends and their evolution with molecular size.
Pallavi Sarkar, Itay Almog, Renana Gershoni‐Poranne   +2 more
wiley   +1 more source

Aromaticity‐Dependent Memristive Switching

Advanced Electronic Materials
In recent years, memristors have drawn attention as non‐volatile memory devices for advanced computing engineering. The features of memristors, such as hysteresis, high resistance state to low resistance state ratio, retention time, etc., are determined ...
Ewelina Cechosz, Lulu Alluhaibi, Tomasz Mazur, Andrzej Sławek, Nanjan Pandurangan, Konrad Szaciłowski   +5 more
doaj   +1 more source

Interpreting Aromaticity and Antiaromaticity through Bifurcation Analysis of the Induced Magnetic Field

ChemistryOpen, 2019
In all molecules, a current density is induced when the molecule is subjected to an external magnetic field. In turn, this current density creates a particular magnetic field.
Dr. Ricardo Pino‐Rios, Prof. Gloria Cárdenas‐Jirón, Prof. Lina Ruiz, Prof. William Tiznado   +3 more
doaj   +1 more source

Pyridine‐Fused Bis(azacorrole)s: Easily Accessible NIR III Absorbing Cation Radicals and Biradicaloids of Antiaromatic Ground State

Advanced Science
A family of pyridine‐fused bis(porphyrinoids) is obtained, including constitutionally isomeric bis(azacorrole)s, azacorrole‐oxacorrole, as well as azacorrole‐norcorrole heterodimers by two distinct synthetic approaches.
Sha Li, Shaowei Zhang, Xiaofang Li, Oskar Smaga, Kinga Szydełko, Miłosz Pawlicki, Piotr J. Chmielewski   +6 more
doaj   +1 more source

Aromaticity in Octahedral Cyclopentadienylberyllium Transition Metal Clusters

European Journal of Inorganic Chemistry, Volume 29, Issue 26, 16 September 2026.
Density functional theory studies on (CpBe)6M (M = Mn to Cu) complexes related to the experimentally known (CpBe)6Ni predict octahedral or distorted octahedral structures. The CpBe ligands are weak‐field ligands stabilizing high formal transition metal oxidation states by pπ → dπ forward electron donation to the central transition metal. (CpBe)6Ni is a
Huidong Li, Jinfeng Luo, Haoyu Chen, Qunchao Fan, Zhixiang Fan, Gregory H. Robinson, R. Bruce King, Henry F. Schaefer III   +7 more
wiley   +1 more source

Highly Electron‐Donating Antiaromatic N,N′‐Dimethyldiazaporphyrins via Reductive Dimethylation

ChemistryEurope
Ni(II) N,N′‐dimethyl‐5,15‐diazaporhyrins are efficiently prepared through reductive dimethylation of 5,15‐diazaporphyrin Ni(II) complexes with sodium dispersion in the presence of dimethyl sulfate.
Kohei Ohtake, Hideaki Takano, Hiroshi Shinokubo   +2 more
doaj   +1 more source

Tuning Antiaromaticity Through Meso-Substituent Orientation in Core-Modified Isophlorins [PDF]

Isoda M., Sugimura H., Honda Y., et al. Tuning Antiaromaticity Through Meso-Substituent Orientation in Core-Modified Isophlorins. Asian Journal of Organic Chemistry , (2025); https://doi.org/10.1002/ajoc.202500372.Antiaromaticity is an essential ...
Sugimura, Haruna, Isoda, Maika, Honda, Yusuke, Yamashita, Ken ichi   +3 more
core   +1 more source

TOPOLOGIA DOS ORBITAIS MOLECULARES DE POLIENOS PARA DEDUZIR ENERGIAS RELATIVAS E AVALIAR AROMATICIDADE

Química Nova
A didactic alternative approach is proposed for deducing the molecular orbital topology of acyclic and cyclic polyenes and then evaluating their bonding, antibonding, and nonbonding character.
Silvio Cunha
doaj   +1 more source

Open-shell magnetic states in alternant and non-alternant nanographenes: Conceptions and misconceptions

Carbon Trends
In contrast to alternant, in non-alternant nanographenes (NGRs) and graphene nanoribbons (GNRs) no “sublattice structure” can be defined, associated with significant conceptual and computational simplifications. This leads to some fundamental differences
Aristides D. Zdetsis
doaj   +1 more source

antiaromatic compounds

, 2014
Citation: 'antiaromatic compounds' 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.A00382 • 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