The aromatic character of three different flowers of general formula [n:(pi, pj)n/2], namely [8:(5,7)4], [8:(5,6)4], has been evaluated by means of geometric (HOMA index), energetic (heats of formation) and magnetic criteria (NICS index, exaltation of magnetic susceptibility). Also, the reactivity descriptors within the DFT approach – absolute hardness, electrophilicity, Fukui functions – have been the most stable 8-Sumanene flower, have been designed and evaluated by means of ab initio computations.
Data udostępnienia | 11 sty 2023, 13:22:41 |
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Data mod. | 11 sty 2023, 13:22:41 |
Dostęp | Publiczny |
Aktywnych wyświetleń | 0 |