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Aromaticity rules.

作者信息

Solà Miquel

机构信息

Institut de Química Computacional i Catàlisi (IQCC) and Departament de Química, Universitat de Girona, Girona, Catalonia, Spain.

出版信息

Nat Chem. 2022 Jun;14(6):585-590. doi: 10.1038/s41557-022-00961-w.

DOI:10.1038/s41557-022-00961-w

PMID:35668210

Abstract

摘要

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Can Baird's and Clar's Rules Combined Explain Triplet State Energies of Polycyclic Conjugated Hydrocarbons with Fused 4nπ- and (4n + 2)π-Rings?

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Nat Commun. 2015 Feb 23;6:6331. doi: 10.1038/ncomms7331.

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相似文献

Aromaticity rules.

Nat Chem. 2022 Jun;14(6):585-590. doi: 10.1038/s41557-022-00961-w.

Compactness aromaticity of atoms in molecules.

Int J Mol Sci. 2010 Mar 26;11(4):1269-310. doi: 10.3390/ijms11041269.

In-plane aromaticity in cycloparaphenylene dications: a magnetic circular dichroism and theoretical study.

J Am Chem Soc. 2015 Jan 14;137(1):82-5. doi: 10.1021/ja511320f. Epub 2014 Dec 24.

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

J Comput Chem. 2009 Dec;30(16):2764-76. doi: 10.1002/jcc.21291.

Aromaticity and antiaromaticity in transition-metal systems.

Phys Chem Chem Phys. 2008 Jan 14;10(2):257-67. doi: 10.1039/b713646c. Epub 2007 Nov 5.

Interplay between intramolecular resonance-assisted hydrogen bonding and local aromaticity. II. 1,3-Dihydroxyaryl-2-aldehydes.

J Org Chem. 2009 Mar 6;74(5):2059-66. doi: 10.1021/jo802498h.

Benzene and Beyond: Pursuing the Core of Aromaticity.

Ann Sci. 2015 Apr;72(2):242-57. doi: 10.1080/00033790.2015.1007526.

Quantum-mechanical calculations on molecular substructures involved in nanosystems.

Molecules. 2014 Sep 26;19(10):15468-506. doi: 10.3390/molecules191015468.

Analysis of the effects of N-substituents on some aspects of the aromaticity of imidazoles and pyrazoles.

J Phys Chem A. 2011 Aug 4;115(30):8571-7. doi: 10.1021/jp204263p. Epub 2011 Jul 14.

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引用本文的文献

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Chem Sci. 2025 Aug 11. doi: 10.1039/d5sc02743h.

An 18-Porphyrin Nanoring at the Size Limit for Global Aromaticity.

J Am Chem Soc. 2025 Sep 10;147(36):32840-32850. doi: 10.1021/jacs.5c09149. Epub 2025 Aug 28.

Transition-state aromaticity and its relationship with reactivity in pericyclic reactions.

Beilstein J Org Chem. 2025 Aug 12;21:1613-1626. doi: 10.3762/bjoc.21.125. eCollection 2025.

Toward a Systematics for the Lowest Excited States of Heteroaromatics Enabled via Cyclic π-Conjugated Carbenes and Heteroelement Analogues.

J Org Chem. 2025 Jul 18;90(28):9743-9756. doi: 10.1021/acs.joc.5c00578. Epub 2025 Jul 8.

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Open Res Eur. 2025 Mar 18;5:70. doi: 10.12688/openreseurope.19690.1. eCollection 2025.

Oxidation-induced double aromaticity in periodo-polycyclic hydrocarbons.

Chem Sci. 2025 Apr 28;16(22):9920-9933. doi: 10.1039/d4sc08696a. eCollection 2025 Jun 4.

A New Set of Aromaticity Descriptors Based on the Electron Density Employing the Distributed Multipole Analysis (DMA).

ACS Omega. 2025 Apr 3;10(14):14157-14175. doi: 10.1021/acsomega.4c11451. eCollection 2025 Apr 15.

Excited-State Aromatization Drives Nonequilibrium Planarization Dynamics.

J Am Chem Soc. 2025 Apr 9;147(14):12051-12060. doi: 10.1021/jacs.4c18623. Epub 2025 Mar 9.

Effect of size, charge, and spin state on Hückel and Baird aromaticity in []annulenes.

Chem Sci. 2025 Feb 21;16(13):5613-5622. doi: 10.1039/d4sc08225g. eCollection 2025 Mar 26.

本文引用的文献

Isolation of a triplet benzene dianion.

Nat Chem. 2021 Oct;13(10):1001-1005. doi: 10.1038/s41557-021-00737-8. Epub 2021 Jul 19.

Experimental and Theoretical Evidence for Aromatic Stabilization Energy in Large Macrocycles.

J Am Chem Soc. 2021 Feb 10;143(5):2403-2412. doi: 10.1021/jacs.0c12845. Epub 2021 Jan 26.

Electron Delocalization in Planar Metallacycles: Hückel or Möbius Aromatic?

ChemistryOpen. 2019 Feb 20;8(2):219-227. doi: 10.1002/open.201900014. eCollection 2019 Feb.

Aromaticity and Antiaromaticity in Zintl Clusters.

Chemistry. 2018 Oct 1;24(55):14583-14597. doi: 10.1002/chem.201801715. Epub 2018 Jul 11.

Can Baird's and Clar's Rules Combined Explain Triplet State Energies of Polycyclic Conjugated Hydrocarbons with Fused 4nπ- and (4n + 2)π-Rings?

J Org Chem. 2017 Jun 16;82(12):6327-6340. doi: 10.1021/acs.joc.7b00906. Epub 2017 Jun 7.

Why Aromaticity Is a Suspicious Concept? Why?

Front Chem. 2017 Mar 24;5:22. doi: 10.3389/fchem.2017.00022. eCollection 2017.

A multicentre-bonded [Zn(I)]8 cluster with cubic aromaticity.

Nat Commun. 2015 Feb 23;6:6331. doi: 10.1038/ncomms7331.

A particle on a hollow cylinder: the triple ring tubular cluster B27(+).

Phys Chem Chem Phys. 2014 Sep 28;16(36):19470-8. doi: 10.1039/c4cp01996b.

Forty years of Clar's aromatic π-sextet rule.

Front Chem. 2013 Oct 17;1:22. doi: 10.3389/fchem.2013.00022. eCollection 2013.

Excited state aromaticity and antiaromaticity: opportunities for photophysical and photochemical rationalizations.

Chem Rev. 2014 May 28;114(10):5379-425. doi: 10.1021/cr300471v. Epub 2014 Apr 8.

Aromaticity rules.

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