| Download | - View accepted manuscript: Sensitivity of high-order-harmonic generation to aromaticity (PDF, 440 KiB)
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| DOI | Resolve DOI: https://doi.org/10.1103/PhysRevA.92.041801 |
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| Author | Search for: Alharbi, A. F.; Search for: Boguslavskiy, A. E.; Search for: Thiré, N.; Search for: Schmidt, B. E.; Search for: Légaré, F.; Search for: Brabec, T.; Search for: Spanner, M.1; Search for: Bhardwaj, V. R. |
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| Affiliation | - National Research Council of Canada. Security and Disruptive Technologies
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| Format | Text, Article |
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| Subject | 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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| Abstract | 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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| Publication date | 2015-10-07 |
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| Publisher | American Physical Society |
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| In | |
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| Language | English |
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| Peer reviewed | Yes |
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| NPARC number | 21276929 |
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| Export citation | Export as RIS |
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| Report a correction | Report a correction (opens in a new tab) |
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| Record identifier | 1aab8dc4-66ed-475b-8269-de15c5793885 |
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| Record created | 2015-11-10 |
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| Record modified | 2020-06-04 |
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