Works matching Aromaticity

Results: 3579

Can Anti‐Aufbau DFT Calculations Estimate Singlet Excited State Aromaticity? Correspondence on "Dibenzoarsepins: Planarization of 8π‐Electron System in the Lowest Singlet Excited State".

Published in:

Angewandte Chemie, 2020, v. 132, n. 24, p. 9312, doi. 10.1002/ange.202001934

By:

Karadakov, Peter B.;
Saito, Shohei

Publication type:

Article

Expansion of Magnetic Aromaticity Criteria to Multilayer Structures: Magnetic Response and Spherical Aromaticity of Matryoshka‐Like Cluster [Sn@Cu12@Sn20]12−.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 10, p. 2263, doi. 10.1002/chem.201905088

By:

Kulichenko, Maksim;
Fedik, Nikita;
Boldyrev, Alexander;
Muñoz‐Castro, Alvaro

Publication type:

Article

Assessment of Clar's aromatic π-sextet rule by means of PDI, NICS and HOMA indicators of local aromaticity.

Published in:

Journal of Physical Organic Chemistry, 2005, v. 18, n. 8, p. 785, doi. 10.1002/poc.938

By:

Portella, Guillem;
Poater, Jordi;
Solà, Miquel

Publication type:

Article

Usefulness of the σ‐Aromaticity and σ‐Antiaromaticity Concepts for Clusters and Solid‐State Compounds.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 2, p. 292, doi. 10.1002/chem.201702035

By:

Popov, Ivan A.;
Starikova, Alyona A.;
Steglenko, Dmitry V.;
Boldyrev, Alexander I.

Publication type:

Article

[32]π Fused Core-Modified Heptaphyrin with Möbius Aromaticity.

Published in:

Chemistry - A European Journal, 2016, v. 22, n. 12, p. 3942, doi. 10.1002/chem.201505116

By:

Ghosh, Arindam;
Chaudhary, Arvind;
Srinivasan, A.;
Suresh, Cherumuttathu H.;
Chandrashekar, Tavarekere K.

Publication type:

Article

Local aromaticity in polyacenes manifested by individual proton and carbon shieldings: DFT mapping of aromaticity.

Published in:

Magnetic Resonance in Chemistry, 2020, v. 58, n. 2, p. 145, doi. 10.1002/mrc.4967

By:

Gajda, Magdalena;
Gajda, Łukasz;
Kupka, Teobald;
Kar, Tapas

Publication type:

Article

吲哚咔唑类异构体芳香性的研究.

Published in:

Journal of Molecular Science, 2023, v. 39, n. 4, p. 318, doi. 10.13563/j.cnki.jmolsci.2022.11.003

By:

艾合买提·沙塔尔;
阿布力克木·克热木

Publication type:

Article

Adaptive σ‐Aromaticity in an Unsaturated Three‐Membered Ring.

Published in:

Chemistry - An Asian Journal, 2020, v. 15, n. 21, p. 3444, doi. 10.1002/asia.202000900

By:

Huang, Yuanyuan;
Dai, Chenshu;
Zhu, Jun

Publication type:

Article

Achieving Adaptive Aromaticity in Cyclo[10]carbon by Screening Cyclo[n]carbon (n=8−24).

Published in:

Chemistry - An Asian Journal, 2020, v. 15, n. 14, p. 2187, doi. 10.1002/asia.202000528

By:

Dai, Chenshu;
Chen, Dandan;
Zhu, Jun

Publication type:

Article

Front Cover: σ‐Aromaticity in a Fully Unsaturated Ring (Chem. Asian J. 23/2018).

Published in:

Chemistry - An Asian Journal, 2018, v. 13, n. 23, p. 3554, doi. 10.1002/asia.201801562

By:

Wu, Jingjing;
Liu, Xin;
Hao, Yulei;
Chen, Hongjiang;
Su, Peifeng;
Wu, Wei;
Zhu, Jun

Publication type:

Article

σ‐Aromaticity in a Fully Unsaturated Ring.

Published in:

Chemistry - An Asian Journal, 2018, v. 13, n. 23, p. 3691, doi. 10.1002/asia.201801279

By:

Wu, Jingjing;
Liu, Xin;
Hao, Yulei;
Chen, Hongjiang;
Su, Peifeng;
Wu, Wei;
Zhu, Jun

Publication type:

Article

Probing the Aromaticity of Bi(metallacycloprop‐1‐ene) with Different Metals and Ligands.

Published in:

European Journal of Inorganic Chemistry, 2025, v. 28, n. 14, p. 1, doi. 10.1002/ejic.202500060

By:

Wang, Yarong;
Zhang, Xu;
Li, Yang;
Bao, Ming

Publication type:

Article

Nucleus-Independent Chemical Shift Criterion for Aromaticity in Some of the Corannulene Derivatives as Carbon Nanostructure: Effect of Substituent Groups on Aromaticity.

Published in:

Polycyclic Aromatic Compounds, 2016, v. 36, n. 2, p. 120, doi. 10.1080/10406638.2014.948966

By:

Reisi-Vanani, A.;
Faghih, S.

Publication type:

Article

Unveiling Möbius/Hückel Topology and Aromaticity in A Core‐Expanded [10]Annulene at Different Oxidation States.

Published in:

Angewandte Chemie, 2024, v. 136, n. 11, p. 1, doi. 10.1002/ange.202320144

By:

Wu, Shaofei;
Han, Yi;
Ni, Yong;
Hou, Xudong;
Wei, Haipeng;
Li, Zhengtao;
Wu, Jishan

Publication type:

Article

New Insights into Aromaticity through Novel Delta Polynomials and Delta Aromatic Indices.

Published in:

Symmetry (20738994), 2024, v. 16, n. 4, p. 391, doi. 10.3390/sym16040391

By:

Balasubramanian, Krishnan

Publication type:

Article

Diagnosis of the σ-, π- and (σ+π)-Aromaticity by the Shape of the NICSzz-Scan Curves and Symmetry-Based Selection Rules.

Published in:

Symmetry (20738994), 2010, v. 2, n. 1, p. 284, doi. 10.3390/sym2010284

By:

Tsipis, Athanassios C.;
Depastas, Ioannis G.;
Tsipis, Constantinos A.

Publication type:

Article

Theoretical Study on the Structures, Electronic Properties, and Aromaticity of Thiophene Analogues of Anti-Kekulene.

Published in:

Chemistry (2624-8549), 2022, v. 4, n. 4, p. 1546, doi. 10.3390/chemistry4040102

By:

Hashimoto, Shingo;
Tahara, Kazukuni

Publication type:

Article

A universal scale of aromaticity for π-organic compounds.

Published in:

Journal of Computational Chemistry, 2010, v. 31, n. 5, p. 917, doi. 10.1002/jcc.21377

By:

ALONSO, MERCEDES;
HERRADÓN, BERNARDO

Publication type:

Article

Tuning aromaticity in trigonal alkaline earth metal clusters and their alkali metal salts.

Published in:

Journal of Computational Chemistry, 2009, v. 30, n. 16, p. 2764, doi. 10.1002/jcc.21291

By:

JIMÉNEZ-HALLA, J. OSCAR C.;
MATITO, EDUARD;
BLANCAFORT, LLUÍS;
ROBLES, JUVENCIO;
SOLÀ, MIQUEL

Publication type:

Article

On the performance of some aromaticity indices: A critical assessment using a test set.

Published in:

Journal of Computational Chemistry, 2008, v. 29, n. 10, p. 1543, doi. 10.1002/jcc.20914

By:

Feixas, Ferran;
Matito, Eduard;
Poater, Jordi;
Solà, Miquel

Publication type:

Article

Identification of local benzenoid aromaticity and global aromaticity of polycyclic aromatic hydrocarbons (PAHs) via the corresponding ring current effects in ¹H NMR spectroscopy.

Published in:

ARKIVOC: Online Journal of Organic Chemistry, 2024, v. 2024, p. 1, doi. 10.24820/ark.5550190.p012.263

By:

Kleinpeter, Erich;
Koch, Andreas

Publication type:

Article

Hückel‐ and Baird‐Type Global Aromaticity in a 3D Fully Conjugated Molecular Cage.

Published in:

Angewandte Chemie, 2022, v. 134, n. 9, p. 1, doi. 10.1002/ange.202115571

By:

Wu, Shaofei;
Ni, Yong;
Han, Yi;
Hou, Xudong;
Wang, Congyong;
Hu, Wenping;
Wu, Jishan

Publication type:

Article

Front Cover: Excited‐State Topology Modifications of the Dihydroazulene Photoswitch Through Aromaticity (ChemPhotoChem 8/2019).

Published in:

ChemPhotoChem, 2019, v. 3, n. 8, p. 575, doi. 10.1002/cptc.201900183

By:

Skov, Anders B.;
Ree, Nicolai;
Gertsen, Anders S.;
Chabera, Pavel;
Uhlig, Jens;
Lissau, Jonas S.;
Nucci, Luigi;
Pullerits, Tõnu;
Mikkelsen, Kurt V.;
Brøndsted Nielsen, Mogens;
Sølling, Theis I.;
Hansen, Thorsten

Publication type:

Article

Excited‐State Topology Modifications of the Dihydroazulene Photoswitch Through Aromaticity.

Published in:

ChemPhotoChem, 2019, v. 3, n. 8, p. 619, doi. 10.1002/cptc.201900088

By:

Skov, Anders B.;
Ree, Nicolai;
Gertsen, Anders S.;
Chabera, Pavel;
Uhlig, Jens;
Lissau, Jonas S.;
Nucci, Luigi;
Pullerits, Tõnu;
Mikkelsen, Kurt V.;
Brøndsted Nielsen, Mogens;
Sølling, Theis I.;
Hansen, Thorsten

Publication type:

Article

Substituent Effect of Nitro Group on Aromaticity of Carbazole Rings.

Published in:

Chemistry of Heterocyclic Compounds, 2014, v. 50, n. 9, p. 1244, doi. 10.1007/s10593-014-1586-0

By:

Radula-Janik, K.;
Kopka, K.;
Kupka, T.;
Ejsmont, K.

Publication type:

Article

Aromaticity of corazulenic fullerenes.

Published in:

Journal of Mathematical Chemistry, 2009, v. 45, n. 2, p. 330, doi. 10.1007/s10910-008-9409-0

By:

Diudea, Mircea V.;
Vizitiu, Aniela E.

Publication type:

Article

Connecting and combining rules of aromaticity. Towards a unified theory of aromaticity.

Published in:

WIREs: Computational Molecular Science, 2019, v. 9, n. 4, p. N.PAG, doi. 10.1002/wcms.1404

By:

Solà, Miquel

Publication type:

Article

Aromaticity and Magnetic Behavior in Benzenoids: Unraveling Ring Current Combinations.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 1, p. 1, doi. 10.1002/chem.202302415

By:

Leyva‐Parra, Luis;
Pino‐Rios, Ricardo;
Inostroza, Diego;
Solà, Miquel;
Alonso, Mercedes;
Tiznado, William

Publication type:

Article

Electronic Structure and Aromaticity of an Unusual Cyclo[18]carbon Precursor, C18Br6.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 31, p. 1, doi. 10.1002/chem.202300348

By:

Wang, Xia;
Liu, Zeyu;
Wang, Jiaojiao;
Lu, Tian;
Xiong, Weiwei;
Yan, Xiufen;
Zhao, Mengdi;
Orozco‐Ic, Mesías

Publication type:

Article

Frontispiece: Photochemistry Driven by Excited‐State Aromaticity Gain or Antiaromaticity Relief.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 19, p. 1, doi. 10.1002/chem.202381961

By:

Yan, Jiajie;
Slanina, Tomáš;
Bergman, Joakim;
Ottosson, Henrik

Publication type:

Article

Cover Feature: Photochemistry Driven by Excited‐State Aromaticity Gain or Antiaromaticity Relief (Chem. Eur. J. 19/2023).

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 19, p. 1, doi. 10.1002/chem.202300634

By:

Yan, Jiajie;
Slanina, Tomáš;
Bergman, Joakim;
Ottosson, Henrik

Publication type:

Article

Photochemistry Driven by Excited‐State Aromaticity Gain or Antiaromaticity Relief.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 19, p. 1, doi. 10.1002/chem.202203748

By:

Yan, Jiajie;
Slanina, Tomáš;
Bergman, Joakim;
Ottosson, Henrik

Publication type:

Article

Bonding Character, Electron Delocalization, and Aromaticity of Cyclo[18]Carbon (C18) Precursors, C18‐(CO)n (n=6, 4, and 2): Focusing on the Effect of Carbonyl (‐CO) Groups**.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 7, p. 1, doi. 10.1002/chem.202103815

By:

Wang, Xia;
Liu, Zeyu;
Yan, Xiufen;
Lu, Tian;
Zheng, Wenlong;
Xiong, Weiwei

Publication type:

Article

Cover Feature: Ring Size Determines the Conformation, Global Aromaticity and Photophysical Properties of Macrocyclic Oligofurans (Chem. Eur. J. 71/2021).

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 71, p. 17723, doi. 10.1002/chem.202104303

By:

Dishi, Or;
Malakar, Partha;
Shimon, Linda J. W.;
Ruhman, Sanford;
Gidron, Ori

Publication type:

Article

Ring Size Determines the Conformation, Global Aromaticity and Photophysical Properties of Macrocyclic Oligofurans.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 71, p. 17794, doi. 10.1002/chem.202103536

By:

Dishi, Or;
Malakar, Partha;
Shimon, Linda J. W.;
Ruhman, Sanford;
Gidron, Ori

Publication type:

Article

Disclosure of Ground‐State Zimmerman‐Möbius Aromaticity in the Radical Anion of [6]Helicene and Evidence for 4π Periodic Aromatic Ring Currents in a Molecular "Metallic" Möbius Strip.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 59, p. 14660, doi. 10.1002/chem.202102230

By:

Mauksch, Michael;
Tsogoeva, Svetlana B.

Publication type:

Article

Analysis of Non‐innocence of Phosphaquinodimethane Ligands when Charge and Aromaticity Come into Play.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 36, p. 9350, doi. 10.1002/chem.202100420

By:

Junker, Philip;
Rey Planells, Alicia;
Espinosa Ferao, Arturo;
Streubel, Rainer

Publication type:

Article

Probing the Origin of Adaptive Aromaticity in 16‐Valence‐Electron Metallapentalenes.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 57, p. 12964, doi. 10.1002/chem.202001830

By:

Chen, Dandan;
Szczepanik, Dariusz W.;
Zhu, Jun;
Solà, Miquel

Publication type:

Article

Unique Role of Heterole‐Fused Structures in Aromaticity and Physicochemical Properties of 7,8‐Dehydropurpurins.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 52, p. 12043, doi. 10.1002/chem.202001361

By:

Higashino, Tomohiro;
Nishimura, Issei;
Imahori, Hiroshi

Publication type:

Article

Bonding, Aromaticity and Isomerization of Furfuraldehyde through Off‐Nucleus Isotropic Magnetic Shielding.

Published in:: ChemistryOpen, 2021, v. 10, n. 10, p. 976, doi. 10.1002/open.202100202
Publication type:: Article

Substituent effect on local aromaticity in mono and di-substituted heterocyclic analogs of naphthalene.

Published in:

Journal of Physical Organic Chemistry, 2010, v. 23, n. 5, p. 440, doi. 10.1002/poc.1619

By:

Mohajeri, Afshan;
Shahamirian, Mozhgan

Publication type:

Article

Multicenter bond indices as a new measure of aromaticity in polycyclic aromatic hydrocarbons.

Published in:

Journal of Physical Organic Chemistry, 2005, v. 18, n. 8, p. 706, doi. 10.1002/poc.922

By:

Bultinck, Patrick;
Ponec, Robert;
Van Damme, Sofie

Publication type:

Article

ON THE MULTIPLE FACETS OF AROMATICITY: ORGANIC, INORGANIC, ORGANOMETALLIC, COORDINATION AND SUPRAMOLECULAR CASE STUDIES.

Published in:

Studia Universitatis Babes-Bolyai, Chemia, 2010, n. 2, p. 69

By:

Ferbinteanu, Marilena;
Cimpoesu, Fanica

Publication type:

Article

Aromaticity and Magnetic Properties of 1- and 2-Indenones and Their Aza Derivatives.

Published in:

European Journal of Organic Chemistry, 2014, v. 2014, n. 24, p. 5370, doi. 10.1002/ejoc.201402509

By:

Poater, Jordi;
Solà, Miquel;
Alkorta, Ibon;
Elguero, José

Publication type:

Article

QTAIM n-center delocalization indices as descriptors of aromaticity in mono and poly heterocycles.

Published in:

Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 127, doi. 10.1002/jcc.20468

By:

Mandado, Marcos;
González-Moa, María J.;
Mosquera, Ricardo A.

Publication type:

Article

Aromaticity in linear polyacenes: Generalized population analysis and molecular quantum similarity approach.

Published in:

Journal of Computational Chemistry, 2007, v. 28, n. 1, p. 152, doi. 10.1002/jcc.20491

By:

Bultinck, Patrick;
Ponec, Robert;
Carbo-Dorca, Ramon

Publication type:

Article

Royal crown-shaped electride Li3-N3-Be containing two superatoms: New knowledge on aromaticity.

Published in:

Journal of Computational Chemistry, 2006, v. 27, n. 8, p. 986, doi. 10.1002/jcc.20408

By:

Zhi-Ru Li;
Fang-Fang Wang;
Di Wu;
Ying Li;
Wei Chen;
Xiao-Ying Sun;
Feng Long Gu;
Yuriko Aoki

Publication type:

Article

Competition Between Sextet Aromaticity and Cyclobutadiene Antiaromaticity within the Same Molecule: Location is Important.

Published in:

Croatica Chemica Acta, 2021, v. 94, n. 4, p. 213, doi. 10.5562/cca3888

By:

Dias, Jerry Ray

Publication type:

Article

Heat‐Resistant Properties in the Phosphorescence of trans‐Bis[β‐(iminomethyl)aryloxy]platinum(II) Complexes: Effect of Aromaticity on d–π Conjugation Platforms.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 14, p. 3650, doi. 10.1002/chem.201805785

By:

Inoue, Ryo;
Naito, Masaya;
Ehara, Masahiro;
Naota, Takeshi

Publication type:

Article

Magnetic Shielding, Aromaticity, Antiaromaticity and Bonding in the Low‐Lying Electronic States of S2N2.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 63, p. 16791, doi. 10.1002/chem.201804292

By:

Karadakov, Peter B.;
Al‐Yassiri, Muntadar A. H.;
Cooper, David L.

Publication type:

Article