| Téléchargement | - Voir le manuscrit accepté : Sensitivity of high-order-harmonic generation to aromaticity (PDF, 440 Kio)
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| DOI | Trouver le DOI : https://doi.org/10.1103/PhysRevA.92.041801 |
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| Auteur | Rechercher : Alharbi, A. F.; Rechercher : Boguslavskiy, A. E.; Rechercher : Thiré, N.; Rechercher : Schmidt, B. E.; Rechercher : Légaré, F.; Rechercher : Brabec, T.; Rechercher : Spanner, M.1; Rechercher : Bhardwaj, V. R. |
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| Affiliation | - Conseil national de recherches du Canada. Technologies de sécurité et de rupture
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| Format | Texte, Article |
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| Sujet | aromatic compounds; aromatization; harmonic analysis; molecular orbitals; molecular orientation; organic pollutants; thiophene; aromatic molecules; electron delocalization; five-membered rings; high order harmonic generation; high order harmonics; organic molecules; relative strength; strong field ionization; harmonic generation |
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| Résumé | The influence of cyclic electron delocalization associated with aromaticity on the high-order-harmonic generation (HHG) process is investigated in organic molecules. We show that the aromatic molecules benzene (C6H6) and furan (C4H4O) produce high-order harmonics more efficiently than nonaromatic systems having the same ring structure. We also demonstrate that the relative strength of plateau harmonics is sensitive to the aromaticity in five-membered-ring molecules using furan, pyrrole (C4H4NH), and thiophene (C4H4S). Numerical time-dependent Schrödinger equation simulations of total orientation-averaged strong-field ionization yields show that the HHG from aromatic molecules comes predominantly from the two highest π molecular orbitals, which contribute to the aromatic character of the systems. |
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| Date de publication | 2015-10-07 |
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| Maison d’édition | American Physical Society |
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| Dans | |
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| Langue | anglais |
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| Publications évaluées par des pairs | Oui |
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| Numéro NPARC | 21276929 |
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| Exporter la notice | Exporter en format RIS |
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| Signaler une correction | Signaler une correction (s'ouvre dans un nouvel onglet) |
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| Identificateur de l’enregistrement | 1aab8dc4-66ed-475b-8269-de15c5793885 |
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| Enregistrement créé | 2015-11-10 |
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| Enregistrement modifié | 2020-06-04 |
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