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Dear Colleagues,

I am delighted to announce the launch of the second edition of this Special Issue dedicated to Fused-Nitrogen-Containing Heterocycles, including new insights into chemical transformations and their mechanisms; preparation of new compounds; new synthetic methods; stereoselective syntheses; isolation, structure resolutions and total syntheses of natural substances; compounds with interesting or useful physical properties that include, for example, photochromism or fluorescence; the biological activity of compounds; potential drugs; etc.

Researchers are invited to contribute research articles and comprehensive reviews reflecting the latest progress in fused-nitrogen-containing heterocycles. We believe that this Special Issue of Molecules will attract the interest of the scientific community and contribute to the improvement and expansion of knowledge in the area of fused-nitrogen-containing heterocycles.

Dr. Stanislav Kafka
Guest Editor

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Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Related Special Issue

Published Papers (1 paper)

Research

20 pages, 11953 KiB

Open AccessArticle

Protic Processes in an Extended Pyrazinacene: The Case of Dihydrotetradecaazaheptacene

by Aël Cador, Samia Kahlal, Gary J. Richards, Jean-François Halet and Jonathan P. Hill

Molecules 2024, 29(10), 2407; https://doi.org/10.3390/molecules29102407 - 20 May 2024

Viewed by 345

Abstract

Pyrazinacenes are linearly fused heteroaromatic rings, with N atoms replacing all apical CH moieties. Component rings may exist in a reduced state, having NH groups instead of N, causing cross-conjugation. These compounds have interesting optical and electronic properties, including strong fluorescence in the near-infrared region and photocatalytic properties, leading to diverse possible applications in bio-imaging and organic synthesis, as well as obvious molecular electronic uses. In this study, we investigated the behavior of seven-ring pyrazinacene 2,3,11,12-tetraphenyl-7,16-dihydro-1,4,5,6,7,8,9,12,13,14,15,16,17,18-tetradecaazaheptacene (Ph₄H₂N₁₄HEPT), with an emphasis on protic processes, including oxidation, tautomerism, deprotonation, and protonation, and the species resulting from those processes. We used computational methods to optimize the structures of the different species and generate/compare molecular orbital structures. The aromaticity of the species generated by the different processes was assessed using the nucleus-independent chemical shifts, and trends in the values were associated with the different transformations of the pyrazinacene core. The computational data were compared with experimental data obtained from synthetic samples of the molecule tBu₈Ph₄H₂N₁₄HEPT. Full article

(This article belongs to the Special Issue Fused-Nitrogen-Containing Heterocycles (Second Edition))

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