Literature DB >> 21595440

Aromatic character of polycyclic π systems formed by fusion of two or more rings of the same size.

Rika Sekine1, Yuto Nakagami, Jun-ichi Aihara.   

Abstract

The sequential line plot of topological resonance energy (TRE) against the number of π electrons (N(π)) for any polycyclic aromatic hydrocarbon (PAH) is very similar with the same number of extrema to that for benzene. Thus, global aromaticity of a PAH molecular ion strongly reflects that of a benzene molecular ion. Likewise, the N(π) dependence of TRE for any polycyclic π system formed by fusion of two or more rings of the same size reflects that for a monocyclic species of the same ring size. In general, TREs for such polycyclic π systems and their molecular ions can be interpreted consistently by reference to those for neutral and charged monocyclic species of the same ring size.

Entities:  

Year:  2011        PMID: 21595440     DOI: 10.1021/jp2033438

Source DB:  PubMed          Journal:  J Phys Chem A        ISSN: 1089-5639            Impact factor:   2.781


  3 in total

1.  The Influence of the Aromatic Character in the Gas Chromatography Elution Order: The Case of Polycyclic Aromatic Hydrocarbons.

Authors:  Jorge O Oña-Ruales; Walter B Wilson; Federica Nalin; Lane C Sander; Patricia Schubert-Ullrich; Stephen A Wise
Journal:  Mol Phys       Date:  2016-11-08       Impact factor: 1.962

2.  A study of the aromaticity of heteroannelated cyclooctatetraene derivatives.

Authors:  Ablimit Abdukadir; Aygul Mattursun; Ablikim Kerim; Kamalbek Omar; Lutpulla Hushur
Journal:  J Mol Model       Date:  2018-05-02       Impact factor: 1.810

3.  A study on the aromatic conjugation pathways and the ring currents of bridged [18]annulenes.

Authors:  Qimanguli Tuoheti; Ablikim Kerim
Journal:  RSC Adv       Date:  2019-08-14       Impact factor: 3.361

  3 in total

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