☆ 4.8 Editorial Material

Aromaticity rules

NATURE CHEMISTRY (2022)

相关参考文献

注意：仅列出部分参考文献，下载原文获取全部文献信息。

Article Chemistry, Medicinal

Extension and Quantification of the Fries Rule and Its Connection to Aromaticity: Large-Scale Validation by Wave-Function-Based Resonance Analysis

Yang Wang

Summary: The Fries rule, a simple and intuitive tool for predicting dominant Kekule structures of PAHs, has been verified, generalized, and quantified based on resonance analysis of over 1500 PAH and fullerene molecules. The extended rules, counting the numbers of electrons within all rings, can rank the relative importance of Kekule structures for all considered systems. The study also proposes a graph-based aromaticity indicator applicable to PAHs and fullerenes, which does not require any quantum chemistry calculations and can predict molecular properties related to local aromaticity.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2022)

添加到收藏夹

Editorial Material Chemistry, Multidisciplinary

Open questions in boron species with globally 4n π systems

Kei Ota et al.

Summary: The study presents boron species with a global 4n π system that goes against the Huckel rule, yet still exhibits aromaticity.

COMMUNICATIONS CHEMISTRY (2021)

添加到收藏夹

Article Chemistry, Multidisciplinary

Experimental and Theoretical Evidence for Aromatic Stabilization Energy in Large Macrocycles

Michael Jirasek et al.

Summary: The study demonstrates the detection of ASE in pi-conjugated porphyrin nanorings experimentally, with DFT calculations predicting a similar range of ASE. Comparison with [18]annulene suggests similar ASE in porphyrin nanorings, contributing to the fundamental understanding of aromaticity in large macrocycles.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2021)

添加到收藏夹

Article Chemistry, Multidisciplinary

Guidelines for Tuning the Excited State Huckel-Baird Hybrid Aromatic Character of Pro-Aromatic Quinoidal Compounds**

Silvia Escayola et al.

Summary: Pro-aromatic molecules have distinct diradicaloid and T-1 states with potential Baird aromaticity, which can be designed using strategies involving electron-donating substituents on small conjugated rings, electron withdrawing substituents on small exocyclic groups, or electron-deficient conjugated rings with exocyclic electron-donor substitution.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021)

添加到收藏夹

Article Chemistry, Multidisciplinary

How Aromatic Are Molecular Nanorings? The Case of a Six-Porphyrin Nanoring**

Irene Casademont-Reig et al.

Summary: This study reveals the relationship between electronic properties and aromaticity in ring structures, indicating the reasons for the lack of aromaticity in the six-porphyrin nanoring structure and further emphasizing the importance of choosing appropriate computational methods and descriptors.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021)

添加到收藏夹

Article Chemistry, Multidisciplinary

Isolation of a triplet benzene dianion

Colin A. Gould et al.

Summary: This study successfully stabilized the elusive benzene diradical dianion through the creation of a special ligand, making it the molecular ground state in the triplet state. The stable structure conforms to the prediction of Baird's rule.

NATURE CHEMISTRY (2021)

添加到收藏夹

Article Chemistry, Multidisciplinary

An unprecedented π-electronic circuit involving an odd number of carbon atoms in a grossly warped non-planar nanographene

Silvia Escayola et al.

Summary: A study found that in a grossly warped nano-graphene structure, the insertion of five- and seven-membered rings formed global π-circuits, with two most favorable π-aromatic circuits containing 50 and 75 π-electrons respectively, one following Huckel's rule and the other not following any known rules of aromaticity.

CHEMICAL COMMUNICATIONS (2021)

添加到收藏夹

Article Biochemistry & Molecular Biology

How do the Huckel and Baird Rules Fade away in Annulenes?

Irene Casademont-Reig et al.

MOLECULES (2020)

添加到收藏夹

Article Chemistry, Multidisciplinary

All-metal Baird aromaticity

Dandan Chen et al.

CHEMICAL COMMUNICATIONS (2020)

添加到收藏夹

Article Chemistry, Multidisciplinary

Electron Delocalization in Planar Metallacycles: Huckel or Mobius Aromatic?

Dariusz W. Szczepanik et al.

CHEMISTRYOPEN (2019)

添加到收藏夹

Review Chemistry, Multidisciplinary

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

Miquel Sola

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2019)

添加到收藏夹

Article Chemistry, Multidisciplinary

Open-shell jellium aromaticity in metal clusters

Jordi Poater et al.

CHEMICAL COMMUNICATIONS (2019)

添加到收藏夹

Review Chemistry, Multidisciplinary

Graph Theory of Ring-Current Diamagnetism

Jun-ichi Aihara

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN (2018)

添加到收藏夹

Review Chemistry, Multidisciplinary

Aromaticity and Antiaromaticity in Zintl Clusters

Chao Liu et al.

CHEMISTRY-A EUROPEAN JOURNAL (2018)

添加到收藏夹

Article Chemistry, Organic

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

Rabia Ayub et al.

JOURNAL OF ORGANIC CHEMISTRY (2017)

添加到收藏夹

Editorial Material Chemistry, Multidisciplinary

Why Aromaticity Is a Suspicious Concept? Why?

Miquel Sola

FRONTIERS IN CHEMISTRY (2017)

添加到收藏夹

Article Chemistry, Multidisciplinary

Spectroscopic Observation of the Triplet Diradical State of a Cyclobutadiene

Arseni Kostenko et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2017)

添加到收藏夹

Article Multidisciplinary Sciences

Perspective The Many Guises of Aromaticity

Roald Hoffmann

AMERICAN SCIENTIST (2015)

添加到收藏夹

Article Multidisciplinary Sciences

A multicentre-bonded [ZnI]8 cluster with cubic aromaticity

Ping Cui et al.

NATURE COMMUNICATIONS (2015)

添加到收藏夹

Article Chemistry, Multidisciplinary

π Aromaticity and Three-Dimensional Aromaticity: Two sides of the Same Coin?

Jordi Poater et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2014)

添加到收藏夹

Review Chemistry, Multidisciplinary

Excited State Aromaticity and Antiaromaticity: Opportunities for Photophysical and Photochemical Rationalizations

Martin Rosenberg et al.

CHEMICAL REVIEWS (2014)

添加到收藏夹

Article Chemistry, Physical

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

Long Van Duong et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Particle on a Boron Disk: Ring Currents and Disk Aromaticity in B202-

Truong Ba Tai et al.

INORGANIC CHEMISTRY (2013)

添加到收藏夹

Article Chemistry, Inorganic & Nuclear

Analysis of the Relative Stabilities of Ortho, Meta, and Para MClY(XC4H4)(PH3)2 Heterometallabenzenes (M = Rh, Ir; X = N, P; Y = Cl and M = Ru, Os; X = N, P; Y = CO)

Majid El-Hamdi et al.

ORGANOMETALLICS (2013)

添加到收藏夹

Review Chemistry, Multidisciplinary

Forty years of Clar's aromatic pi-sextet rule

Miquel Sola

FRONTIERS IN CHEMISTRY (2013)

添加到收藏夹

News Item Chemistry, Multidisciplinary

ORGANIC PHOTOCHEMISTRY Exciting excited-state aromaticity

Henrik Ottosson

NATURE CHEMISTRY (2012)

添加到收藏夹

Article Chemistry, Physical

Is C60 buckminsterfullerene aromatic?

Zhongfang Chen et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)

添加到收藏夹

Article Chemistry, Multidisciplinary

Open-shell spherical aromaticity: the 2N(2)+2N+1 (with S = N+1/2) rule

Jordi Poater et al.

CHEMICAL COMMUNICATIONS (2011)

添加到收藏夹

Article Chemistry, Physical

Electron delocalization and aromaticity in low-lying excited states of archetypal organic compounds

Ferran Feixas et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)

添加到收藏夹

Article Chemistry, Multidisciplinary

Demonstration of Mobius Aromaticity in Planar Metallacycles

Michael Mauksch et al.

CHEMISTRY-A EUROPEAN JOURNAL (2010)

添加到收藏夹

Article Chemistry, Multidisciplinary

What is ... aromaticity: a critique of the concept of aromaticity-can it really be defined?

Amnon Stanger

CHEMICAL COMMUNICATIONS (2009)

添加到收藏夹

Article Chemistry, Physical

Ring-current aromaticity in open-shell systems

A. Soncini et al.

CHEMICAL PHYSICS LETTERS (2008)

添加到收藏夹

Article Chemistry, Physical

Aromaticity in spin-polarized systems: Can rings be simultaneously alpha aromatic and beta antiaromatic?

Marcos Mandado et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

添加到收藏夹

Article Chemistry, Multidisciplinary

Intrinsically chiral aromaticity. Rules incorporating linking number, twist, and writhe for higher-twist Mobius annulenes

Shay M. Rappaport et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)

添加到收藏夹

Article Chemistry, Multidisciplinary

Expanded porphyrin with a split personality: A Huckel-Mobius aromaticity switch

Marcin Stepien et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)

添加到收藏夹

Review Chemistry, Multidisciplinary

All-metal aromaticity and antiaromaticity

AI Boldyrev et al.

CHEMICAL REVIEWS (2005)

添加到收藏夹

Article Multidisciplinary Sciences

Synthesis of a Mobius aromatic hydrocarbon

D Ajami et al.

NATURE (2003)

添加到收藏夹

Review Chemistry, Multidisciplinary

Electronic requirements for macropolyhedral boranes

ED Jemmis et al.

CHEMICAL REVIEWS (2002)

添加到收藏夹

© Peeref 2019-2024. All rights reserved.