Expanding aromaticity tests to include lowest-lying triplet excited states and charged and heterocyclic rings
Abstract
(10), 1543-1554.), we introduced a series of fifteen aromaticity tests that were used to analyze the advantages and drawbacks of a group of ten aromaticity descriptors. In this work, we propose to extent these initial tests of aromaticity with a series of thirteen tests related to excited state aromaticity, redox processes, and heterocyclic rings to evaluate the ability of twelve aromaticity descriptors. A comprehensive evaluation of the strengths and weaknesses of the analysed indicators of aromaticity reveals that electronic and magnetic indices perform most consistently, although the former show limitations when applied to oxidized species.
Fields of Study & Subjects
Synthesis and Properties of Aromatic Compounds
Photochemistry and Electron Transfer Studies
Photochromic and Fluorescence Chemistry
Publication details
- Journal / source
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 28
- Issue
- 6
- Pages
- 4023–4034
- Publication date
- 1 January 2026
- Language
- EN